A0A060XG68_ONCMY Loading...

Factor VIII intron 22 protein

AlphaFold DB , UniProt , Accession A0A060XG68, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 317 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41Very low65.3Low203 Ų20384.5 Ų84.5100%147%0.465SS*.  0-58.50-63.1-154-153.200115E4M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 PolarHBondContact N-OE2 3.29Å
2A39.5Very low66.9Low98 Ų9890.9 Ų90.981%0.8148%0.477SS*.Hα-helixtrans-72.9-33.2179.400000114
3A49.9Very low68.1Low54 Ų5487.8 Ų87.845%0.44647%0.472SS..Hα-helixtrans-74.6-34.5178.700000113.7G5 D6 F7A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 3.43Å; A3-D6 PolarHBondContact O-N 3.12Å; A3-F7 PolarHBondContact O-N 2.88Å; A3-F7 VanDerWaalsContact O-N 3.12Å
4E51.8Low69Low90 Ų9082.1 Ų82.142%0.42144%0.442SS..Hα-helixtrans-63.5-35.2179.3-69.7161.2135.300112.3M1 L8M1-E4 WeakPolarHBondContact CA-OE2 3.24Å; M1-E4 PolarHBondContact N-OE2 3.29Å; E4-L8 PolarHBondContact O-N 3.26Å
5G56.9Low69.8Low36 Ų3678.9 Ų78.937%0.37143%0.428SS..Hα-helixtrans-68.5-36.1177.200000113.5A3 M9A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 3.43Å; G5-M9 WeakPolarHBondContact O-CE 3.47Å; G5-M9 WeakPolarHBondContact O-CG 3.13Å; G5-M9 PolarHBondContact O-N 3.16Å
6D74Confident70.6Confident70 Ų7078.2 Ų78.237%0.37442%0.424SS..Hα-helixtrans-73.1-42.7177.7-165.60.5000110.8A3 M9 R10A3-D6 PolarHBondContact O-N 3.12Å; D6-M9 PolarHBondContact O-N 2.55Å; D6-R10 WeakPolarHBondContact O-CG 3.41Å; D6-R10 PolarHBondContact O-N 3.23Å; D6-R10 IonicContact OD1-CZ 3.68Å; D6-R10 IonicContact OD1-NE 2.93Å; D6-R10 PolarHBondContact OD1-NE 3.44Å; D6-R10 IonicContact OD1-NH2 3.59Å; D6-R10 IonicContact OD2-CZ 3.5Å; D6-R10 IonicContact OD2-NE 3.54Å; D6-R10 IonicContact OD2-NH2 2.79Å; D6-R10 PolarHBondContact OD2-NH2 3.24Å
7F77.2Confident71Confident19 Ų1979.4 Ų79.48%0.08342%0.424CS..Hα-helixtrans-59.4-51.5177168.1-106000112.9A3 M9 R10 Y11 L38 L42 Y50 C54A3-F7 PolarHBondContact O-N 2.88Å; A3-F7 VanDerWaalsContact O-N 3.12Å; F7-M9 PolarHBondContact O-N 3.48Å; F7-R10 PolarHBondContact O-N 3.2Å; F7-R10 VanDerWaalsContact O-N 3.1Å; F7-Y11 HydrophobicContact CE2-CD2 4.37Å; F7-Y11 AromaticContact CZ-CD2 3.9Å; F7-Y11 HydrophobicContact CZ-CD2 3.9Å; F7-Y11 HydrophobicContact CZ-CG 4.19Å; F7-Y11 WeakPolarHBondContact O-CB 3.23Å; F7-Y11 PolarHBondContact O-N 3.37Å; F7-L38 HydrophobicContact CD2-CD2 4.33Å; F7-L38 HydrophobicContact CE2-CB 4.29Å; F7-L42 HydrophobicContact CB-CD2 4.38Å; F7-L42 HydrophobicContact CD1-CD1 4.27Å; F7-L42 HydrophobicContact CD1-CD2 4.36Å; F7-L42 HydrophobicContact CD2-CD1 3.55Å; F7-L42 HydrophobicContact CD2-CD2 3.92Å; F7-L42 HydrophobicContact CD2-CG 3.92Å; F7-L42 HydrophobicContact CE1-CD1 3.93Å; F7-L42 HydrophobicContact CE2-CD1 3.16Å; F7-L42 HydrophobicContact CE2-CD2 4.4Å; F7-L42 HydrophobicContact CE2-CG 4.02Å; F7-L42 HydrophobicContact CG-CD1 4.11Å; F7-L42 HydrophobicContact CG-CD2 3.92Å; F7-L42 HydrophobicContact CG-CG 4.41Å; F7-L42 HydrophobicContact CZ-CD1 3.37Å; F7-Y50 HydrophobicContact CD1-CG 4.49Å; F7-Y50 HydrophobicContact CE1-CD1 4.01Å; F7-Y50 HydrophobicContact CE1-CG 4.08Å; F7-C54 WeakPolarHBondContact CE2-SG 3.26Å; F7-C54 WeakPolarHBondContact CZ-SG 3.47Å
8L80.4Confident71Confident69 Ų6977.7 Ų77.736%0.36142%0.415SS..Hα-helixtrans-62.3-33.1-178.9-73.7171.3000111.9E4 R12E4-L8 PolarHBondContact O-N 3.26Å; L8-R12 VanDerWaalsContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CG 3.44Å; L8-R12 PolarHBondContact O-N 2.91Å
9M82.2Confident71.2Confident126 Ų12680.6 Ų80.662%0.62142%0.424SS*.Hα-helixtrans-66.8-45.8173.1-78.4-163.8-79.600111.8G5 D6 F7 R12 A13G5-M9 WeakPolarHBondContact O-CE 3.47Å; G5-M9 WeakPolarHBondContact O-CG 3.13Å; G5-M9 PolarHBondContact O-N 3.16Å; D6-M9 PolarHBondContact O-N 2.55Å; F7-M9 PolarHBondContact O-N 3.48Å; M9-R12 PolarHBondContact O-N 2.97Å; M9-A13 WeakPolarHBondContact O-CB 3.19Å; M9-A13 PolarHBondContact O-N 3.37Å
10R81.7Confident70.7Confident106 Ų10686.8 Ų86.840%0.445%0.447SS..Hα-helixtrans-62-46.4175.7-67.5176-167.7-163.32.7111.7D6 F7 R12 A13 V14 L38 E41D6-R10 WeakPolarHBondContact O-CG 3.41Å; D6-R10 PolarHBondContact O-N 3.23Å; D6-R10 IonicContact OD1-CZ 3.68Å; D6-R10 IonicContact OD1-NE 2.93Å; D6-R10 PolarHBondContact OD1-NE 3.44Å; D6-R10 IonicContact OD1-NH2 3.59Å; D6-R10 IonicContact OD2-CZ 3.5Å; D6-R10 IonicContact OD2-NE 3.54Å; D6-R10 IonicContact OD2-NH2 2.79Å; D6-R10 PolarHBondContact OD2-NH2 3.24Å; F7-R10 PolarHBondContact O-N 3.2Å; F7-R10 VanDerWaalsContact O-N 3.1Å; R10-R12 PolarHBondContact O-N 3.39Å; R10-A13 WeakPolarHBondContact O-CB 3.48Å; R10-A13 PolarHBondContact O-N 3.06Å; R10-A13 VanDerWaalsContact O-N 3.13Å; R10-V14 WeakPolarHBondContact O-CG2 3.44Å; R10-V14 PolarHBondContact O-N 3.45Å; R10-L38 HydrophobicContact CB-CD1 4.25Å; R10-L38 HydrophobicContact CB-CD2 3.98Å; R10-E41 IonicContact NH1-OE2 3.6Å
11Y83.2Confident70.4Confident58 Ų5890.4 Ų90.423%0.22746%0.455CS..Hα-helixtrans-59-45.1176.5-175.3-88.1000112.1F7 A13 V14 S15 F35 A57F7-Y11 HydrophobicContact CE2-CD2 4.37Å; F7-Y11 AromaticContact CZ-CD2 3.9Å; F7-Y11 HydrophobicContact CZ-CD2 3.9Å; F7-Y11 HydrophobicContact CZ-CG 4.19Å; F7-Y11 WeakPolarHBondContact O-CB 3.23Å; F7-Y11 PolarHBondContact O-N 3.37Å; Y11-A13 VanDerWaalsContact C-N 3.35Å; Y11-V14 PolarHBondContact O-N 3.47Å; Y11-S15 WeakPolarHBondContact O-CB 3.43Å; Y11-S15 PolarHBondContact O-N 3.31Å; Y11-S15 PolarHBondContact O-OG 3Å; Y11-F35 HydrophobicContact CD2-CD1 4.08Å; Y11-F35 AromaticContact CD2-CE1 3.67Å; Y11-F35 HydrophobicContact CD2-CE1 3.67Å; Y11-F35 HydrophobicContact CE2-CD1 4.05Å; Y11-F35 AromaticContact CE2-CE1 3.6Å; Y11-F35 HydrophobicContact CE2-CE1 3.6Å; Y11-F35 HydrophobicContact CG-CE1 4.36Å; Y11-A57 HydrophobicContact CE2-CB 4.21Å
12R84.4Confident70.9Confident162 Ų16290.4 Ų90.461%0.61145%0.45SS*.Hα-helixtrans-65.9-36.7175.2-75.1174.7-178.1177.72.9112.1L8 M9 R10 S15 N16L8-R12 VanDerWaalsContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CB 3.3Å; L8-R12 WeakPolarHBondContact O-CG 3.44Å; L8-R12 PolarHBondContact O-N 2.91Å; M9-R12 PolarHBondContact O-N 2.97Å; R10-R12 PolarHBondContact O-N 3.39Å; R12-S15 PolarHBondContact O-N 3.03Å; R12-N16 VanDerWaalsContact O-CB 3.29Å; R12-N16 WeakPolarHBondContact O-CB 3.43Å; R12-N16 PolarHBondContact O-N 3.4Å; R12-N16 PolarHBondContact O-ND2 2.99Å
13A83.1Confident71.7Confident50 Ų5094.4 Ų94.441%0.41346%0.456SS..Hα-helixtrans-63.1-48.3177.300000111.1M9 R10 Y11 N16 K17M9-A13 WeakPolarHBondContact O-CB 3.19Å; M9-A13 PolarHBondContact O-N 3.37Å; R10-A13 WeakPolarHBondContact O-CB 3.48Å; R10-A13 PolarHBondContact O-N 3.06Å; R10-A13 VanDerWaalsContact O-N 3.13Å; Y11-A13 VanDerWaalsContact C-N 3.35Å; A13-N16 PolarHBondContact O-N 3.35Å; A13-K17 WeakPolarHBondContact O-CG 3.29Å; A13-K17 PolarHBondContact O-N 3.49Å; A13-K17 VanDerWaalsContact O-N 3.15Å
14V80.5Confident72.4Confident8 Ų8101.9 Ų101.95%0.04847%0.473CS..Hα-helixtrans-61.8-46.7175-175.50000110.6R10 Y11 N16 K17 L18 A31 Q34 F35 L38R10-V14 WeakPolarHBondContact O-CG2 3.44Å; R10-V14 PolarHBondContact O-N 3.45Å; Y11-V14 PolarHBondContact O-N 3.47Å; V14-N16 VanDerWaalsContact C-N 3.27Å; V14-N16 PolarHBondContact O-N 3.2Å; V14-K17 WeakPolarHBondContact O-CB 3.17Å; V14-K17 PolarHBondContact O-N 3.17Å; V14-L18 PolarHBondContact O-N 2.97Å; V14-A31 HydrophobicContact CG1-CB 4.02Å; V14-Q34 HydrophobicContact CG1-CB 4.19Å; V14-Q34 HydrophobicContact CG2-CB 3.93Å; V14-F35 HydrophobicContact CB-CE1 3.88Å; V14-F35 HydrophobicContact CB-CE2 4.38Å; V14-F35 HydrophobicContact CB-CZ 3.81Å; V14-F35 HydrophobicContact CG1-CD1 4.2Å; V14-F35 HydrophobicContact CG1-CD2 3.9Å; V14-F35 HydrophobicContact CG1-CE1 3.78Å; V14-F35 HydrophobicContact CG1-CE2 3.45Å; V14-F35 VanDerWaalsContact CG1-CE2 3.45Å; V14-F35 HydrophobicContact CG1-CG 4.26Å; V14-F35 HydrophobicContact CG1-CZ 3.38Å; V14-L38 HydrophobicContact CG2-CD1 4.32Å
15S81.7Confident73Confident34 Ų34107.1 Ų107.124%0.23849%0.494CS..Hα-helixtrans-58.1-36.7176.3-60.80000113Y11 R12 K17 L18 K19Y11-S15 WeakPolarHBondContact O-CB 3.43Å; Y11-S15 PolarHBondContact O-N 3.31Å; Y11-S15 PolarHBondContact O-OG 3Å; R12-S15 PolarHBondContact O-N 3.03Å; S15-K17 VanDerWaalsContact C-N 3.33Å; S15-L18 PolarHBondContact O-N 2.91Å; S15-K19 PolarHBondContact O-N 3Å
16N81.6Confident73.7Confident68 Ų68107.7 Ų107.736%0.36449%0.492SS..Hα-helixtrans-74.9-20177-76-28.8000113.3R12 A13 V14 L18 K19R12-N16 VanDerWaalsContact O-CB 3.29Å; R12-N16 WeakPolarHBondContact O-CB 3.43Å; R12-N16 PolarHBondContact O-N 3.4Å; R12-N16 PolarHBondContact O-ND2 2.99Å; A13-N16 PolarHBondContact O-N 3.35Å; V14-N16 VanDerWaalsContact C-N 3.27Å; V14-N16 PolarHBondContact O-N 3.2Å; N16-L18 VanDerWaalsContact C-N 3.32Å; N16-K19 WeakPolarHBondContact OD1-CE 3.34Å; N16-K19 PolarHBondContact OD1-NZ 2.89Å
17K77.8Confident74Confident98 Ų98109 Ų10943%0.42650%0.499SS..Hα-helixtrans-72.5-28.5170.1-66.2175.9-175.2-179.80111.6A13 V14 S15A13-K17 WeakPolarHBondContact O-CG 3.29Å; A13-K17 PolarHBondContact O-N 3.49Å; A13-K17 VanDerWaalsContact O-N 3.15Å; V14-K17 WeakPolarHBondContact O-CB 3.17Å; V14-K17 PolarHBondContact O-N 3.17Å; S15-K17 VanDerWaalsContact C-N 3.33Å
18L71.1Confident74.3Confident49 Ų49109.2 Ų109.226%0.25750%0.501SS..Hα-helixtrans-79.2-22177.8-70.6172.1000114V14 S15 N16 K20 V28 A31 F35V14-L18 PolarHBondContact O-N 2.97Å; S15-L18 PolarHBondContact O-N 2.91Å; N16-L18 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.46Å; L18-V28 HydrophobicContact CD2-CB 4.4Å; L18-V28 HydrophobicContact CD2-CG1 4.19Å; L18-V28 HydrophobicContact CD2-CG2 4.09Å; L18-A31 HydrophobicContact CD1-CB 4.19Å; L18-A31 HydrophobicContact CD2-CB 3.64Å; L18-A31 HydrophobicContact CG-CB 3.93Å; L18-F35 HydrophobicContact CD1-CE2 3.77Å; L18-F35 HydrophobicContact CD1-CZ 4.3Å
19K74.3Confident74.4Confident133 Ų133108 Ų10858%0.57850%0.502SS*.SBendtrans-61.8132.6176-73.1179.2-179.5165.90110.3S15 N16 R21S15-K19 PolarHBondContact O-N 3Å; N16-K19 WeakPolarHBondContact OD1-CE 3.34Å; N16-K19 PolarHBondContact OD1-NZ 2.89Å; K19-R21 PolarHBondContact O-N 3.27Å
20K61.6Low74.6Confident205 Ų205105.9 Ų105.989%0.89149%0.49SS*.  trans-53.5111.1177.5-73.6-177178.6177.50109.9L18L18-K20 PolarHBondContact O-N 3.46Å
21R65Low74.8Confident163 Ų163101 Ų10162%0.61547%0.472SS*.BIsolated β-bridgetrans-93.4138.4166.6-63.3-176.8-174.6-166.40.7107.4K19 L23 R24K19-R21 PolarHBondContact O-N 3.27Å; R21-L23 PolarHBondContact O-N 3.11Å; R21-L23 VanDerWaalsContact O-N 3.13Å; R21-R24 PolarHBondContact O-N 3.49Å
22F50.8Low75Confident203 Ų20398.4 Ų98.489%0.8946%0.463SS*.THydrogen-bonded Turntrans-46.4123.3177.4-98.6-92.5000109.8R24F22-R24 PolarHBondContact O-N 2.64Å
23L56.7Low75.1Confident181 Ų18196.9 Ų96.995%0.94846%0.463SS*.THydrogen-bonded Turntrans70.5-2.4176.2-66.2117.2000120.2R21R21-L23 PolarHBondContact O-N 3.11Å; R21-L23 VanDerWaalsContact O-N 3.13Å
24R64.4Low75.4Confident212 Ų21296.4 Ų96.480%0.845%0.452SS*.BIsolated β-bridgetrans-118.6123.2178.1-164170.4177.7178.4-1.5112.1R21 F22R21-R24 PolarHBondContact O-N 3.49Å; F22-R24 PolarHBondContact O-N 2.64Å
25K63.8Low75.8Confident199 Ų19996.1 Ų96.187%0.86545%0.45SS*.  trans-63.5125.8168.8-70.7-174.5179.2-177.90108.3
26P73Confident76.1Confident48 Ų4895.1 Ų95.131%0.31245%0.445SS..  trans-63.9143176.426.5-32.5000109.9V28P26-V28 HydrophobicContact CG-CG2 4.28Å; P26-V28 PolarHBondContact O-N 3.25Å; P26-V28 VanDerWaalsContact O-N 3.1Å
27N79.3Confident76.5Confident98 Ų9897.6 Ų97.652%0.52445%0.454SS..  trans-80.289176.2-169.68.8000109.2E30 A31N27-E30 HydrophobicContact CB-CB 4.37Å; N27-E30 WeakPolarHBondContact ND2-CB 3.26Å; N27-E30 PolarHBondContact ND2-OE2 2.99Å; N27-A31 PolarHBondContact O-N 3.45Å
28V83.1Confident77.1Confident23 Ų2393.6 Ų93.614%0.13944%0.438CS..Hα-helixtrans-72.9-29.5-171.8-173.10000112.6L18 P26 A31 S32 C61 T64 L65L18-V28 HydrophobicContact CD2-CB 4.4Å; L18-V28 HydrophobicContact CD2-CG1 4.19Å; L18-V28 HydrophobicContact CD2-CG2 4.09Å; P26-V28 HydrophobicContact CG-CG2 4.28Å; P26-V28 PolarHBondContact O-N 3.25Å; P26-V28 VanDerWaalsContact O-N 3.1Å; V28-A31 PolarHBondContact O-N 3.35Å; V28-S32 PolarHBondContact O-N 3.03Å; V28-C61 HydrophobicContact CG1-CB 3.47Å; V28-C61 VanDerWaalsContact CG1-CB 3.47Å; V28-T64 VanDerWaalsContact CG1-OG1 3.26Å; V28-T64 WeakPolarHBondContact CG1-OG1 3.5Å; V28-L65 HydrophobicContact CB-CD2 4.03Å; V28-L65 HydrophobicContact CB-CG 4.21Å; V28-L65 HydrophobicContact CG1-CD1 4.29Å; V28-L65 HydrophobicContact CG1-CD2 4.49Å; V28-L65 HydrophobicContact CG1-CG 4.12Å
29A83.3Confident77.9Confident44 Ų4491.3 Ų91.336%0.36443%0.426SS..Hα-helixtrans-64-46.9176.700000112.1A31 S32 E33 L65A29-A31 VanDerWaalsContact C-N 3.29Å; A29-A31 PolarHBondContact O-N 3.32Å; A29-S32 WeakPolarHBondContact O-CB 3.39Å; A29-S32 PolarHBondContact O-N 3.45Å; A29-E33 PolarHBondContact O-N 2.96Å; A29-E33 VanDerWaalsContact O-N 3.07Å; A29-L65 HydrophobicContact CB-CD1 4.22Å
30E85.8Confident78.7Confident81 Ų8192 Ų9238%0.37943%0.429SS..Hα-helixtrans-65.8-33.7177.2-170.8-161.5145.100112N27 Q34N27-E30 HydrophobicContact CB-CB 4.37Å; N27-E30 WeakPolarHBondContact ND2-CB 3.26Å; N27-E30 PolarHBondContact ND2-OE2 2.99Å; E30-Q34 WeakPolarHBondContact O-CB 3.49Å; E30-Q34 VanDerWaalsContact O-CG 3.26Å; E30-Q34 WeakPolarHBondContact O-CG 3.33Å; E30-Q34 PolarHBondContact O-N 2.96Å; E30-Q34 PolarHBondContact OE1-NE2 3.42Å
31A86.1Confident80.1Confident3 Ų386 Ų863%0.02540%0.404CS..Hα-helixtrans-66.5-40.7173.900000111.7V14 L18 N27 V28 A29 Q34 F35V14-A31 HydrophobicContact CG1-CB 4.02Å; L18-A31 HydrophobicContact CD1-CB 4.19Å; L18-A31 HydrophobicContact CD2-CB 3.64Å; L18-A31 HydrophobicContact CG-CB 3.93Å; N27-A31 PolarHBondContact O-N 3.45Å; V28-A31 PolarHBondContact O-N 3.35Å; A29-A31 VanDerWaalsContact C-N 3.29Å; A29-A31 PolarHBondContact O-N 3.32Å; A31-Q34 PolarHBondContact O-N 3.48Å; A31-F35 WeakPolarHBondContact O-CD2 3.45Å; A31-F35 PolarHBondContact O-N 3.34Å
32S87.1Confident81.2Confident5 Ų578.5 Ų78.54%0.03538%0.376CS..Hα-helixtrans-57.9-49.4174.6-166.30000111.3V28 A29 Q34 F35 G36 M58 E62V28-S32 PolarHBondContact O-N 3.03Å; A29-S32 WeakPolarHBondContact O-CB 3.39Å; A29-S32 PolarHBondContact O-N 3.45Å; S32-Q34 PolarHBondContact O-N 3.29Å; S32-F35 PolarHBondContact O-N 2.87Å; S32-G36 PolarHBondContact O-N 2.89Å; S32-M58 WeakPolarHBondContact OG-CG 3.45Å; S32-E62 WeakPolarHBondContact CB-OE1 3.45Å; S32-E62 PolarHBondContact OG-OE1 3.33Å
33E88Confident83Confident130 Ų13072.1 Ų72.161%0.60735%0.348SS*.Hα-helixtrans-61.4-41.1176.8-70-179.1177.100112.8A29 F35 G36 Q37A29-E33 PolarHBondContact O-N 2.96Å; A29-E33 VanDerWaalsContact O-N 3.07Å; E33-F35 PolarHBondContact O-N 3.36Å; E33-G36 PolarHBondContact O-N 3.13Å; E33-Q37 WeakPolarHBondContact O-CG 3.46Å; E33-Q37 PolarHBondContact O-N 3.37Å
34Q88.6Confident84.5Confident40 Ų4071.2 Ų71.219%0.18734%0.339CS..Hα-helixtrans-63.5-39.5176.7-75.917016.700111.7V14 E30 A31 S32 L38V14-Q34 HydrophobicContact CG1-CB 4.19Å; V14-Q34 HydrophobicContact CG2-CB 3.93Å; E30-Q34 WeakPolarHBondContact O-CB 3.49Å; E30-Q34 VanDerWaalsContact O-CG 3.26Å; E30-Q34 WeakPolarHBondContact O-CG 3.33Å; E30-Q34 PolarHBondContact O-N 2.96Å; E30-Q34 PolarHBondContact OE1-NE2 3.42Å; A31-Q34 PolarHBondContact O-N 3.48Å; S32-Q34 PolarHBondContact O-N 3.29Å; Q34-L38 WeakPolarHBondContact O-CG 3.16Å; Q34-L38 PolarHBondContact O-N 3.08Å; Q34-L38 VanDerWaalsContact O-N 3.16Å
35F89.1Confident85.6Confident2 Ų266.1 Ų66.11%0.00932%0.324CS..Hα-helixtrans-66.9-40.5173-73.1-57.2000112.2Y11 V14 L18 A31 S32 E33 Q37 L38 A39 A57 M58Y11-F35 HydrophobicContact CD2-CD1 4.08Å; Y11-F35 AromaticContact CD2-CE1 3.67Å; Y11-F35 HydrophobicContact CD2-CE1 3.67Å; Y11-F35 HydrophobicContact CE2-CD1 4.05Å; Y11-F35 AromaticContact CE2-CE1 3.6Å; Y11-F35 HydrophobicContact CE2-CE1 3.6Å; Y11-F35 HydrophobicContact CG-CE1 4.36Å; V14-F35 HydrophobicContact CB-CE1 3.88Å; V14-F35 HydrophobicContact CB-CE2 4.38Å; V14-F35 HydrophobicContact CB-CZ 3.81Å; V14-F35 HydrophobicContact CG1-CD1 4.2Å; V14-F35 HydrophobicContact CG1-CD2 3.9Å; V14-F35 HydrophobicContact CG1-CE1 3.78Å; V14-F35 HydrophobicContact CG1-CE2 3.45Å; V14-F35 VanDerWaalsContact CG1-CE2 3.45Å; V14-F35 HydrophobicContact CG1-CG 4.26Å; V14-F35 HydrophobicContact CG1-CZ 3.38Å; L18-F35 HydrophobicContact CD1-CE2 3.77Å; L18-F35 HydrophobicContact CD1-CZ 4.3Å; A31-F35 WeakPolarHBondContact O-CD2 3.45Å; A31-F35 PolarHBondContact O-N 3.34Å; S32-F35 PolarHBondContact O-N 2.87Å; E33-F35 PolarHBondContact O-N 3.36Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.19Å; F35-L38 PolarHBondContact O-N 3.38Å; F35-A39 WeakPolarHBondContact O-CB 3.36Å; F35-A39 PolarHBondContact O-N 3.19Å; F35-A57 HydrophobicContact CD1-CB 4.06Å; F35-A57 HydrophobicContact CD2-CB 4.01Å; F35-A57 HydrophobicContact CE1-CB 4Å; F35-A57 HydrophobicContact CE2-CB 3.93Å; F35-A57 HydrophobicContact CG-CB 4.08Å; F35-A57 HydrophobicContact CZ-CB 3.92Å; F35-M58 HydrophobicContact CB-CB 4.3Å
36G88.8Confident86.6Confident13 Ų1363 Ų6313%0.13432%0.317CS..Hα-helixtrans-63.4-37176.900000113.4S32 E33 K40S32-G36 PolarHBondContact O-N 2.89Å; E33-G36 PolarHBondContact O-N 3.13Å; G36-K40 WeakPolarHBondContact O-CG 3.24Å; G36-K40 PolarHBondContact O-N 3.48Å
37Q90Very high87.2Confident119 Ų11962.4 Ų62.456%0.55631%0.313SS*.Hα-helixtrans-65.6-47.6173.2-71.7174.98.400111.4E33 F35 A39 K40 E41E33-Q37 WeakPolarHBondContact O-CG 3.46Å; E33-Q37 PolarHBondContact O-N 3.37Å; F35-Q37 VanDerWaalsContact C-N 3.35Å; F35-Q37 PolarHBondContact O-N 3.19Å; Q37-A39 VanDerWaalsContact C-N 3.32Å; Q37-A39 PolarHBondContact O-N 2.97Å; Q37-K40 PolarHBondContact O-N 3.38Å; Q37-E41 PolarHBondContact O-N 2.95Å
38L88.4Confident87.6Confident14 Ų1458.8 Ų58.87%0.07329%0.294CS..Hα-helixtrans-60.9-40.4177-71.7170000112.1F7 R10 V14 Q34 F35 K40 E41 L42F7-L38 HydrophobicContact CD2-CD2 4.33Å; F7-L38 HydrophobicContact CE2-CB 4.29Å; R10-L38 HydrophobicContact CB-CD1 4.25Å; R10-L38 HydrophobicContact CB-CD2 3.98Å; V14-L38 HydrophobicContact CG2-CD1 4.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.16Å; Q34-L38 PolarHBondContact O-N 3.08Å; Q34-L38 VanDerWaalsContact O-N 3.16Å; F35-L38 PolarHBondContact O-N 3.38Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 3.12Å; L38-E41 PolarHBondContact O-N 3.35Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.3Å
39A89.8Confident87.9Confident1 Ų160.4 Ų60.41%0.00830%0.3CS..Hα-helixtrans-60.4-41.8176.500000111.6F35 Q37 L42 K43 C54 D55F35-A39 WeakPolarHBondContact O-CB 3.36Å; F35-A39 PolarHBondContact O-N 3.19Å; Q37-A39 VanDerWaalsContact C-N 3.32Å; Q37-A39 PolarHBondContact O-N 2.97Å; A39-L42 PolarHBondContact O-N 2.99Å; A39-K43 VanDerWaalsContact O-CG 3.25Å; A39-K43 WeakPolarHBondContact O-CG 3.37Å; A39-K43 PolarHBondContact O-N 3.49Å; A39-C54 HydrophobicContact CB-CB 3.79Å; A39-D55 WeakPolarHBondContact CB-OD1 3.37Å
40K90.1Very high88.1Confident147 Ų14762.2 Ų62.264%0.63930%0.298SS*.Hα-helixtrans-66.4-43.3177.1-70.5177.6-172.8-178.30112.5G36 Q37 L38 L42 K43 Q44G36-K40 WeakPolarHBondContact O-CG 3.24Å; G36-K40 PolarHBondContact O-N 3.48Å; Q37-K40 PolarHBondContact O-N 3.38Å; L38-K40 VanDerWaalsContact C-N 3.32Å; L38-K40 PolarHBondContact O-N 3.12Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.3Å; K40-K43 PolarHBondContact O-N 3.17Å; K40-Q44 WeakPolarHBondContact O-CG 3.45Å; K40-Q44 PolarHBondContact O-N 3.46Å; K40-Q44 VanDerWaalsContact O-N 3.12Å
41E90.4Very high88.4Confident79 Ų7958.3 Ų58.337%0.36928%0.28SS..Hα-helixtrans-60.5-42.6175.6-70.7178.9-179.800111.3R10 Q37 L38 Q44 Q45R10-E41 IonicContact NH1-OE2 3.6Å; Q37-E41 PolarHBondContact O-N 2.95Å; L38-E41 PolarHBondContact O-N 3.35Å; E41-Q44 WeakPolarHBondContact O-CB 3.35Å; E41-Q44 PolarHBondContact O-N 2.91Å; E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 2.97Å
42L88.1Confident88.7Confident6 Ų658.2 Ų58.23%0.03128%0.279CS..Hα-helixtrans-69.9-34.9178.4-73.3175.8000113.5F7 L38 A39 K40 Q44 Q45 D46 C47 A51F7-L42 HydrophobicContact CB-CD2 4.38Å; F7-L42 HydrophobicContact CD1-CD1 4.27Å; F7-L42 HydrophobicContact CD1-CD2 4.36Å; F7-L42 HydrophobicContact CD2-CD1 3.55Å; F7-L42 HydrophobicContact CD2-CD2 3.92Å; F7-L42 HydrophobicContact CD2-CG 3.92Å; F7-L42 HydrophobicContact CE1-CD1 3.93Å; F7-L42 HydrophobicContact CE2-CD1 3.16Å; F7-L42 HydrophobicContact CE2-CD2 4.4Å; F7-L42 HydrophobicContact CE2-CG 4.02Å; F7-L42 HydrophobicContact CG-CD1 4.11Å; F7-L42 HydrophobicContact CG-CD2 3.92Å; F7-L42 HydrophobicContact CG-CG 4.41Å; F7-L42 HydrophobicContact CZ-CD1 3.37Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.3Å; A39-L42 PolarHBondContact O-N 2.99Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.3Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.11Å; L42-Q45 CarbonylContact O-C 3.42Å; L42-Q45 PolarHBondContact O-N 3.28Å; L42-Q45 VanDerWaalsContact O-N 3.14Å; L42-D46 PolarHBondContact O-N 2.93Å; L42-C47 HydrophobicContact CB-CB 4.38Å; L42-C47 HydrophobicContact CD2-CB 3.93Å; L42-C47 PolarHBondContact O-N 2.84Å; L42-A51 HydrophobicContact CB-CB 3.9Å
43K88.3Confident88.9Confident69 Ų6962.2 Ų62.230%0.330%0.296SS..Hα-helixtrans-61.3-37171.3-74.2172.8-164.7-1740111.2A39 K40 Q45 D46 A51 D55 L81A39-K43 VanDerWaalsContact O-CG 3.25Å; A39-K43 WeakPolarHBondContact O-CG 3.37Å; A39-K43 PolarHBondContact O-N 3.49Å; K40-K43 PolarHBondContact O-N 3.17Å; K43-Q45 VanDerWaalsContact C-N 3.27Å; K43-Q45 PolarHBondContact O-N 3.3Å; K43-D46 PolarHBondContact O-N 3.38Å; K43-A51 HydrophobicContact CG-CB 3.85Å; K43-D55 WeakPolarHBondContact CE-OD2 3.5Å; K43-D55 IonicContact NZ-OD2 2.65Å; K43-D55 PolarHBondContact NZ-OD2 3.07Å; K43-L81 HydrophobicContact CD-CD2 4.35Å; K43-L81 HydrophobicContact CG-CD2 4.24Å
44Q89.1Confident89Confident163 Ų16356 Ų5676%0.76227%0.267SS*.Hα-helixtrans-71.7-20.9175.7-69.2174200113.6K40 E41 L42K40-Q44 WeakPolarHBondContact O-CG 3.45Å; K40-Q44 PolarHBondContact O-N 3.46Å; K40-Q44 VanDerWaalsContact O-N 3.12Å; E41-Q44 WeakPolarHBondContact O-CB 3.35Å; E41-Q44 PolarHBondContact O-N 2.91Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.11Å
45Q87.8Confident89.2Confident104 Ų10454.3 Ų54.349%0.48626%0.259SS..THydrogen-bonded Turntrans-95.28178.2-67.4175.510.300112.6E41 L42 K43 C47E41-Q45 WeakPolarHBondContact O-CG 3.41Å; E41-Q45 PolarHBondContact O-N 2.97Å; L42-Q45 CarbonylContact O-C 3.42Å; L42-Q45 PolarHBondContact O-N 3.28Å; L42-Q45 VanDerWaalsContact O-N 3.14Å; K43-Q45 VanDerWaalsContact C-N 3.27Å; K43-Q45 PolarHBondContact O-N 3.3Å; Q45-C47 PolarHBondContact O-N 3.3Å; Q45-C47 VanDerWaalsContact O-N 3.15Å
46D83.9Confident89.4Confident133 Ų13355.8 Ų55.871%0.71127%0.267SS*.THydrogen-bonded Turntrans57.221.6-175.2-60.1-35.2000114.5L42 K43 L48L42-D46 PolarHBondContact O-N 2.93Å; K43-D46 PolarHBondContact O-N 3.38Å; D46-L48 VanDerWaalsContact C-N 3.33Å; D46-L48 PolarHBondContact O-N 3.36Å; D46-L48 VanDerWaalsContact O-N 3.12Å
47C87.1Confident89.5Confident36 Ų3655.7 Ų55.724%0.24327%0.265CS..  trans-88.665177.1-770000111.1L42 Q45 Q49 Y50 A51L42-C47 HydrophobicContact CB-CB 4.38Å; L42-C47 HydrophobicContact CD2-CB 3.93Å; L42-C47 PolarHBondContact O-N 2.84Å; Q45-C47 PolarHBondContact O-N 3.3Å; Q45-C47 VanDerWaalsContact O-N 3.15Å; C47-Q49 PolarHBondContact O-N 3.15Å; C47-Y50 HydrophobicContact CB-CD2 4.19Å; C47-Y50 PolarHBondContact O-N 3.19Å; C47-A51 PolarHBondContact O-N 3.2Å; C47-A51 VanDerWaalsContact O-N 3.11Å
48L87.9Confident89.5Confident22 Ų2251.7 Ų51.712%0.11525%0.247CC..Hα-helixtrans-57.8-43.8-169.7-60.3-178.4000114.2D46 Y50 A51 A52 L81 L84 E88D46-L48 VanDerWaalsContact C-N 3.33Å; D46-L48 PolarHBondContact O-N 3.36Å; D46-L48 VanDerWaalsContact O-N 3.12Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-Y50 PolarHBondContact O-N 3.07Å; L48-A51 PolarHBondContact O-N 3.47Å; L48-A52 PolarHBondContact O-N 2.98Å; L48-L81 HydrophobicContact CD2-CD2 4.08Å; L48-L84 HydrophobicContact CD1-CB 4.01Å; L48-E88 WeakPolarHBondContact CD1-OE1 3.27Å; L48-E88 WeakPolarHBondContact CD1-OE2 3.41Å
49Q87.8Confident89.7Confident57 Ų5751.1 Ų51.127%0.26624%0.244SC..Hα-helixtrans-62-43.2-177.4-60.4171.76.900111.9C47 A52 F53 S85 H100C47-Q49 PolarHBondContact O-N 3.15Å; Q49-A52 WeakPolarHBondContact O-CB 3.41Å; Q49-A52 PolarHBondContact O-N 3.4Å; Q49-F53 WeakPolarHBondContact O-CD2 3.45Å; Q49-F53 PolarHBondContact O-N 3.5Å; Q49-S85 WeakPolarHBondContact CG-OG 3.44Å; Q49-S85 PolarHBondContact NE2-OG 2.94Å; Q49-H100 VanDerWaalsContact CD-NE2 3.34Å; Q49-H100 PolarHBondContact NE2-NE2 2.94Å; Q49-H100 PolarHBondContact OE1-CE1 2.8Å
50Y88.6Confident89.7Confident82 Ų8258.6 Ų58.632%0.32227%0.272SS..Hα-helixtrans-71.3-36.7179.1-64-62000111.7F7 C47 L48 A52 F53 C54F7-Y50 HydrophobicContact CD1-CG 4.49Å; F7-Y50 HydrophobicContact CE1-CD1 4.01Å; F7-Y50 HydrophobicContact CE1-CG 4.08Å; C47-Y50 HydrophobicContact CB-CD2 4.19Å; C47-Y50 PolarHBondContact O-N 3.19Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-Y50 PolarHBondContact O-N 3.07Å; Y50-A52 VanDerWaalsContact C-N 3.29Å; Y50-A52 PolarHBondContact O-N 3.35Å; Y50-F53 PolarHBondContact O-N 3.14Å; Y50-C54 PolarHBondContact O-N 2.93Å; Y50-C54 VanDerWaalsContact O-N 3.08Å
51A91.2Very high89.6Confident0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-61.4-41.217400000111L42 K43 C47 L48 F53 C54 D55 L81L42-A51 HydrophobicContact CB-CB 3.9Å; K43-A51 HydrophobicContact CG-CB 3.85Å; C47-A51 PolarHBondContact O-N 3.2Å; C47-A51 VanDerWaalsContact O-N 3.11Å; L48-A51 PolarHBondContact O-N 3.47Å; A51-F53 PolarHBondContact O-N 3.27Å; A51-C54 WeakPolarHBondContact O-CB 3.35Å; A51-C54 PolarHBondContact O-N 2.98Å; A51-C54 VanDerWaalsContact O-N 3.15Å; A51-D55 PolarHBondContact O-N 2.95Å; A51-L81 HydrophobicContact CB-CD1 4.08Å
52A92.2Very high89.6Confident0 Ų049.4 Ų49.40%023%0.232CC..Hα-helixtrans-62.2-39.517600000112.7L48 Q49 Y50 C54 D55 L56 L81 F82L48-A52 PolarHBondContact O-N 2.98Å; Q49-A52 WeakPolarHBondContact O-CB 3.41Å; Q49-A52 PolarHBondContact O-N 3.4Å; Y50-A52 VanDerWaalsContact C-N 3.29Å; Y50-A52 PolarHBondContact O-N 3.35Å; A52-C54 VanDerWaalsContact C-N 3.34Å; A52-C54 PolarHBondContact O-N 2.92Å; A52-D55 PolarHBondContact O-N 2.88Å; A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 PolarHBondContact O-N 3.41Å; A52-L81 HydrophobicContact CB-CB 3.72Å; A52-L81 HydrophobicContact CB-CD1 4.28Å; A52-F82 HydrophobicContact CB-CD1 3.64Å; A52-F82 HydrophobicContact CB-CD2 3.79Å; A52-F82 HydrophobicContact CB-CE1 3.46Å; A52-F82 VanDerWaalsContact CB-CE1 3.46Å; A52-F82 HydrophobicContact CB-CE2 3.62Å; A52-F82 HydrophobicContact CB-CG 3.79Å; A52-F82 HydrophobicContact CB-CZ 3.44Å; A52-F82 VanDerWaalsContact CB-CZ 3.44Å
53F91.2Very high89.7Confident89 Ų8954.3 Ų54.339%0.3925%0.254SS..Hα-helixtrans-65.5-35.1173.7-72.1-59.5000113Q49 Y50 A51 A57 F82Q49-F53 WeakPolarHBondContact O-CD2 3.45Å; Q49-F53 PolarHBondContact O-N 3.5Å; Y50-F53 PolarHBondContact O-N 3.14Å; A51-F53 PolarHBondContact O-N 3.27Å; F53-A57 PolarHBondContact O-N 3.42Å; F53-F82 AromaticContact CD1-CZ 3.94Å; F53-F82 HydrophobicContact CD1-CZ 3.94Å; F53-F82 HydrophobicContact CE1-CE1 4.23Å; F53-F82 AromaticContact CE1-CZ 3.89Å; F53-F82 HydrophobicContact CE1-CZ 3.89Å; F53-F82 HydrophobicContact CE2-CE1 4.33Å; F53-F82 HydrophobicContact CG-CZ 4.35Å; F53-F82 HydrophobicContact CZ-CE1 4.13Å; F53-F82 HydrophobicContact CZ-CZ 4.26Å
54C91Very high89.7Confident0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-64.6-45.7171.9-74.10000112F7 A39 Y50 A51 A52 L56 A57 M58F7-C54 WeakPolarHBondContact CE2-SG 3.26Å; F7-C54 WeakPolarHBondContact CZ-SG 3.47Å; A39-C54 HydrophobicContact CB-CB 3.79Å; Y50-C54 PolarHBondContact O-N 2.93Å; Y50-C54 VanDerWaalsContact O-N 3.08Å; A51-C54 WeakPolarHBondContact O-CB 3.35Å; A51-C54 PolarHBondContact O-N 2.98Å; A51-C54 VanDerWaalsContact O-N 3.15Å; A52-C54 VanDerWaalsContact C-N 3.34Å; A52-C54 PolarHBondContact O-N 2.92Å; C54-L56 VanDerWaalsContact C-N 3.3Å; C54-L56 PolarHBondContact O-N 2.9Å; C54-A57 WeakPolarHBondContact O-CB 3.29Å; C54-A57 PolarHBondContact O-N 3.1Å; C54-A57 VanDerWaalsContact O-N 3.14Å; C54-M58 PolarHBondContact O-N 3.28Å
55D92.9Very high89.6Confident4 Ų450.7 Ų50.72%0.02125%0.246CC..Hα-helixtrans-65-34.6178-72.7-21000111.2A39 K43 A51 A52 M58 A59 A78 L81A39-D55 WeakPolarHBondContact CB-OD1 3.37Å; K43-D55 WeakPolarHBondContact CE-OD2 3.5Å; K43-D55 IonicContact NZ-OD2 2.65Å; K43-D55 PolarHBondContact NZ-OD2 3.07Å; A51-D55 PolarHBondContact O-N 2.95Å; A52-D55 PolarHBondContact O-N 2.88Å; D55-M58 WeakPolarHBondContact O-CB 3.31Å; D55-M58 PolarHBondContact O-N 2.92Å; D55-A59 PolarHBondContact O-N 2.82Å; D55-A78 HydrophobicContact CB-CB 3.76Å; D55-L81 WeakPolarHBondContact OD2-CD1 3.24Å
56L93.2Very high89.6Confident34 Ų3454.8 Ų54.818%0.17826%0.263CS..Hα-helixtrans-66.5-38.6172-172.668.1000112.6A52 C54 M58 A59 R60 L75A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 PolarHBondContact O-N 3.41Å; C54-L56 VanDerWaalsContact C-N 3.3Å; C54-L56 PolarHBondContact O-N 2.9Å; L56-M58 VanDerWaalsContact C-N 3.33Å; L56-A59 PolarHBondContact O-N 2.91Å; L56-R60 WeakPolarHBondContact O-CG 3.41Å; L56-R60 PolarHBondContact O-N 3.02Å; L56-R60 VanDerWaalsContact O-N 3.16Å; L56-L75 HydrophobicContact CD1-CD2 4.02Å
57A90.4Very high89.9Confident11 Ų1151.5 Ų51.59%0.09125%0.245CC..Hα-helixtrans-67.2-37.3174.900000111.4Y11 F35 F53 C54 R60 C61Y11-A57 HydrophobicContact CE2-CB 4.21Å; F35-A57 HydrophobicContact CD1-CB 4.06Å; F35-A57 HydrophobicContact CD2-CB 4.01Å; F35-A57 HydrophobicContact CE1-CB 4Å; F35-A57 HydrophobicContact CE2-CB 3.93Å; F35-A57 HydrophobicContact CG-CB 4.08Å; F35-A57 HydrophobicContact CZ-CB 3.92Å; F53-A57 PolarHBondContact O-N 3.42Å; C54-A57 WeakPolarHBondContact O-CB 3.29Å; C54-A57 PolarHBondContact O-N 3.1Å; C54-A57 VanDerWaalsContact O-N 3.14Å; A57-R60 PolarHBondContact O-N 2.86Å; A57-C61 PolarHBondContact O-N 2.99Å; A57-C61 VanDerWaalsContact O-N 3.09Å; A57-C61 PolarHBondContact O-SG 3Å
58M90.4Very high90.1Very high35 Ų3551.3 Ų51.317%0.17225%0.246CC..Hα-helixtrans-61.1-48172.6-172.3174.66700111S32 F35 C54 D55 L56 R60 C61 E62 A74S32-M58 WeakPolarHBondContact OG-CG 3.45Å; F35-M58 HydrophobicContact CB-CB 4.3Å; C54-M58 PolarHBondContact O-N 3.28Å; D55-M58 WeakPolarHBondContact O-CB 3.31Å; D55-M58 PolarHBondContact O-N 2.92Å; L56-M58 VanDerWaalsContact C-N 3.33Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 2.93Å; M58-C61 WeakPolarHBondContact O-CA 3.22Å; M58-C61 VanDerWaalsContact O-CB 3.3Å; M58-C61 WeakPolarHBondContact O-CB 3.49Å; M58-C61 PolarHBondContact O-N 3.25Å; M58-E62 PolarHBondContact O-N 2.8Å; M58-A74 HydrophobicContact CE-CB 3.52Å; M58-A74 HydrophobicContact CG-CB 4.39Å
59A91.8Very high90.2Very high2 Ų253.2 Ų53.22%0.01726%0.26CS..Hα-helixtrans-54.9-44.2175.400000112.7D55 L56 C61 E62 Q63 A74 L75D55-A59 PolarHBondContact O-N 2.82Å; L56-A59 PolarHBondContact O-N 2.91Å; A59-C61 VanDerWaalsContact C-N 3.29Å; A59-C61 PolarHBondContact O-N 3.03Å; A59-E62 PolarHBondContact O-N 3.45Å; A59-Q63 WeakPolarHBondContact O-CB 3.22Å; A59-Q63 PolarHBondContact O-N 3.09Å; A59-A74 HydrophobicContact CB-CB 3.78Å; A59-L75 HydrophobicContact CB-CD2 3.64Å; A59-L75 HydrophobicContact CB-CG 3.69Å
60R90.3Very high90.3Very high158 Ų15851.4 Ų51.460%0.59626%0.256SS*.Hα-helixtrans-63.3-34.5175.5-69.7174.7179.3-178.10.8112.7L56 A57 M58 T64L56-R60 WeakPolarHBondContact O-CG 3.41Å; L56-R60 PolarHBondContact O-N 3.02Å; L56-R60 VanDerWaalsContact O-N 3.16Å; A57-R60 PolarHBondContact O-N 2.86Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 2.93Å; R60-T64 WeakPolarHBondContact O-CG2 3.38Å; R60-T64 PolarHBondContact O-N 3.27Å
61C88.9Confident90.5Very high5 Ų548.7 Ų48.73%0.03425%0.247CC..Hα-helixtrans-66.7-49.4174.7-65.40000110.5V28 A57 M58 A59 Q63 T64 L65V28-C61 HydrophobicContact CG1-CB 3.47Å; V28-C61 VanDerWaalsContact CG1-CB 3.47Å; A57-C61 PolarHBondContact O-N 2.99Å; A57-C61 VanDerWaalsContact O-N 3.09Å; A57-C61 PolarHBondContact O-SG 3Å; M58-C61 WeakPolarHBondContact O-CA 3.22Å; M58-C61 VanDerWaalsContact O-CB 3.3Å; M58-C61 WeakPolarHBondContact O-CB 3.49Å; M58-C61 PolarHBondContact O-N 3.25Å; A59-C61 VanDerWaalsContact C-N 3.29Å; A59-C61 PolarHBondContact O-N 3.03Å; C61-Q63 VanDerWaalsContact C-N 3.3Å; C61-Q63 PolarHBondContact O-N 3.46Å; C61-T64 PolarHBondContact O-N 3.49Å; C61-T64 VanDerWaalsContact O-N 3.09Å; C61-T64 PolarHBondContact O-OG1 3.32Å; C61-L65 WeakPolarHBondContact O-CG 3.32Å; C61-L65 PolarHBondContact O-N 3.45Å; C61-L65 VanDerWaalsContact O-N 3.09Å
62E89.3Confident90.6Very high28 Ų2848.7 Ų48.713%0.13125%0.247CC..Hα-helixtrans-60.6-37.8178.3-65-54.7137.400112.7S32 M58 A59 T64 L65 F66 N67 E71S32-E62 WeakPolarHBondContact CB-OE1 3.45Å; S32-E62 PolarHBondContact OG-OE1 3.33Å; M58-E62 PolarHBondContact O-N 2.8Å; A59-E62 PolarHBondContact O-N 3.45Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 2.63Å; E62-L65 CarbonylContact O-C 3.33Å; E62-L65 WeakPolarHBondContact O-CA 3.43Å; E62-L65 WeakPolarHBondContact O-CB 3.2Å; E62-L65 PolarHBondContact O-N 2.77Å; E62-F66 PolarHBondContact O-N 3.09Å; E62-F66 VanDerWaalsContact O-N 3.07Å; E62-N67 HydrophobicContact CB-CB 4.45Å; E62-N67 PolarHBondContact O-N 3.24Å; E62-N67 VanDerWaalsContact OE2-CB 3.27Å; E62-N67 WeakPolarHBondContact OE2-CB 3.39Å; E62-N67 PolarHBondContact OE2-ND2 3.49Å; E62-E71 HydrophobicContact CB-CB 4.03Å
63Q90Very high90.6Very high108 Ų10853.2 Ų53.251%0.50527%0.271SS..Hα-helixtrans-57.6-45.2173.3-171.2179.23200111.6A59 C61 L65 F66 E71A59-Q63 WeakPolarHBondContact O-CB 3.22Å; A59-Q63 PolarHBondContact O-N 3.09Å; C61-Q63 VanDerWaalsContact C-N 3.3Å; C61-Q63 PolarHBondContact O-N 3.46Å; Q63-L65 PolarHBondContact O-N 2.99Å; Q63-F66 PolarHBondContact O-N 3.14Å; Q63-F66 VanDerWaalsContact O-N 3.1Å; Q63-E71 WeakPolarHBondContact CA-OE2 3.38Å; Q63-E71 HydrophobicContact CB-CG 4.34Å; Q63-E71 WeakPolarHBondContact CB-OE2 3.36Å; Q63-E71 WeakPolarHBondContact CG-OE1 3.38Å
64T88.7Confident90.7Very high83 Ų8349.1 Ų49.151%0.50925%0.253SS..Hα-helixtrans-71.2-21177.463.20000113.7V28 R60 C61 E62 F66V28-T64 VanDerWaalsContact CG1-OG1 3.26Å; V28-T64 WeakPolarHBondContact CG1-OG1 3.5Å; R60-T64 WeakPolarHBondContact O-CG2 3.38Å; R60-T64 PolarHBondContact O-N 3.27Å; C61-T64 PolarHBondContact O-N 3.49Å; C61-T64 VanDerWaalsContact O-N 3.09Å; C61-T64 PolarHBondContact O-OG1 3.32Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 2.63Å; T64-F66 VanDerWaalsContact C-N 3.28Å
65L87.5Confident90.9Very high73 Ų7349.5 Ų49.538%0.38226%0.255SS..THydrogen-bonded Turntrans-84.7-3.2172.9-65.9170.3000112.3V28 A29 C61 E62 Q63 N67V28-L65 HydrophobicContact CB-CD2 4.03Å; V28-L65 HydrophobicContact CB-CG 4.21Å; V28-L65 HydrophobicContact CG1-CD1 4.29Å; V28-L65 HydrophobicContact CG1-CD2 4.49Å; V28-L65 HydrophobicContact CG1-CG 4.12Å; A29-L65 HydrophobicContact CB-CD1 4.22Å; C61-L65 WeakPolarHBondContact O-CG 3.32Å; C61-L65 PolarHBondContact O-N 3.45Å; C61-L65 VanDerWaalsContact O-N 3.09Å; E62-L65 CarbonylContact O-C 3.33Å; E62-L65 WeakPolarHBondContact O-CA 3.43Å; E62-L65 WeakPolarHBondContact O-CB 3.2Å; E62-L65 PolarHBondContact O-N 2.77Å; Q63-L65 PolarHBondContact O-N 2.99Å; L65-N67 PolarHBondContact O-N 3.47Å
66F87.8Confident91Very high190 Ų19049.5 Ų49.583%0.83326%0.255SS*.THydrogen-bonded Turntrans57.430.7-173.8-59.6-83.9000113.5E62 Q63 T64 A68E62-F66 PolarHBondContact O-N 3.09Å; E62-F66 VanDerWaalsContact O-N 3.07Å; Q63-F66 PolarHBondContact O-N 3.14Å; Q63-F66 VanDerWaalsContact O-N 3.1Å; T64-F66 VanDerWaalsContact C-N 3.28Å; F66-A68 PolarHBondContact O-N 3.16Å
67N90.1Very high91Very high64 Ų6450.8 Ų50.834%0.34226%0.262SS..  trans-94.878.2176.1-174.617.7000110.5E62 L65 P69 G70 E71E62-N67 HydrophobicContact CB-CB 4.45Å; E62-N67 PolarHBondContact O-N 3.24Å; E62-N67 VanDerWaalsContact OE2-CB 3.27Å; E62-N67 WeakPolarHBondContact OE2-CB 3.39Å; E62-N67 PolarHBondContact OE2-ND2 3.49Å; L65-N67 PolarHBondContact O-N 3.47Å; N67-P69 WeakPolarHBondContact OD1-CD 3.43Å; N67-P69 WeakPolarHBondContact OD1-CG 3.36Å; N67-G70 PolarHBondContact O-N 3.09Å; N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 PolarHBondContact O-N 3.4Å
68A90.6Very high91.2Very high32 Ų3250.3 Ų50.326%0.26426%0.258SS..Hα-helixtrans-52.2-45.8-179.100000115F66 G70 E71 A72 V114 M118F66-A68 PolarHBondContact O-N 3.16Å; A68-G70 PolarHBondContact O-N 3.48Å; A68-E71 PolarHBondContact O-N 3.31Å; A68-A72 WeakPolarHBondContact O-CB 3.33Å; A68-A72 PolarHBondContact O-N 2.85Å; A68-V114 HydrophobicContact CB-CG1 4.19Å; A68-V114 WeakPolarHBondContact O-CG1 3.47Å; A68-M118 HydrophobicContact CB-CG 3.88Å; A68-M118 HydrophobicContact CB-SD 3.73Å
69P90.1Very high91.4Very high63 Ų6348.6 Ų48.641%0.40925%0.25SC..Hα-helixtrans-66.1-38.317821.9-30000112.6N67 A72 L73 M118N67-P69 WeakPolarHBondContact OD1-CD 3.43Å; N67-P69 WeakPolarHBondContact OD1-CG 3.36Å; P69-A72 PolarHBondContact O-N 3.27Å; P69-L73 VanDerWaalsContact O-CG 3.32Å; P69-L73 WeakPolarHBondContact O-CG 3.23Å; P69-L73 PolarHBondContact O-N 3.09Å; P69-L73 VanDerWaalsContact O-N 3.08Å; P69-M118 HydrophobicContact CB-CE 3.75Å; P69-M118 HydrophobicContact CG-CE 4.23Å
70G90.6Very high91.5Very high18 Ų1853.5 Ų53.519%0.18627%0.268CS..Hα-helixtrans-66.4-41.9176.800000112.2N67 A68 L73 A74N67-G70 PolarHBondContact O-N 3.09Å; A68-G70 PolarHBondContact O-N 3.48Å; G70-L73 PolarHBondContact O-N 3.36Å; G70-A74 VanDerWaalsContact O-CB 3.31Å; G70-A74 WeakPolarHBondContact O-CB 3.38Å; G70-A74 PolarHBondContact O-N 2.95Å
71E93.2Very high91.7Very high25 Ų2546.7 Ų46.712%0.11724%0.243CC..Hα-helixtrans-59.4-49.3174177.2178.6-176.600111.3E62 Q63 N67 A68 L73 A74 L75 V114E62-E71 HydrophobicContact CB-CB 4.03Å; Q63-E71 WeakPolarHBondContact CA-OE2 3.38Å; Q63-E71 HydrophobicContact CB-CG 4.34Å; Q63-E71 WeakPolarHBondContact CB-OE2 3.36Å; Q63-E71 WeakPolarHBondContact CG-OE1 3.38Å; N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 PolarHBondContact O-N 3.4Å; A68-E71 PolarHBondContact O-N 3.31Å; E71-L73 PolarHBondContact O-N 3.37Å; E71-A74 PolarHBondContact O-N 3.12Å; E71-L75 HydrophobicContact CG-CD1 3.93Å; E71-L75 HydrophobicContact CG-CG 4.48Å; E71-L75 WeakPolarHBondContact O-CB 3.31Å; E71-L75 VanDerWaalsContact O-CG 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.17Å; E71-L75 PolarHBondContact O-N 3.45Å; E71-V114 HydrophobicContact CG-CG2 4.4Å
72A92.6Very high91.9Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-60.4-46.8-179.600000111.8A68 P69 L75 T76 V114 Y115A68-A72 WeakPolarHBondContact O-CB 3.33Å; A68-A72 PolarHBondContact O-N 2.85Å; P69-A72 PolarHBondContact O-N 3.27Å; A72-L75 PolarHBondContact O-N 3.32Å; A72-T76 VanDerWaalsContact O-CG2 3.31Å; A72-T76 WeakPolarHBondContact O-CG2 3.41Å; A72-T76 PolarHBondContact O-N 3.43Å; A72-T76 PolarHBondContact O-OG1 2.88Å; A72-V114 HydrophobicContact CB-CB 4.33Å; A72-V114 HydrophobicContact CB-CG1 3.88Å; A72-Y115 HydrophobicContact CB-CD2 4.17Å; A72-Y115 HydrophobicContact CB-CE1 4.04Å; A72-Y115 HydrophobicContact CB-CE2 3.62Å
73L93Very high92Very high96 Ų9645.7 Ų45.750%0.50324%0.238SC..Hα-helixtrans-61.3-47.7177.5-71.8172.7000111.9P69 G70 E71 L75 T76 D77P69-L73 VanDerWaalsContact O-CG 3.32Å; P69-L73 WeakPolarHBondContact O-CG 3.23Å; P69-L73 PolarHBondContact O-N 3.09Å; P69-L73 VanDerWaalsContact O-N 3.08Å; G70-L73 PolarHBondContact O-N 3.36Å; E71-L73 PolarHBondContact O-N 3.37Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.1Å; L73-T76 WeakPolarHBondContact CA-OG1 3.14Å; L73-T76 PolarHBondContact O-N 3.48Å; L73-T76 VanDerWaalsContact O-N 3.14Å; L73-T76 PolarHBondContact O-OG1 3.21Å; L73-D77 PolarHBondContact O-N 3.36Å
74A93.3Very high92.1Very high2 Ų244.6 Ų44.62%0.01724%0.235CC..Hα-helixtrans-59.4-40.7177.900000112.2M58 A59 G70 E71 A78M58-A74 HydrophobicContact CE-CB 3.52Å; M58-A74 HydrophobicContact CG-CB 4.39Å; A59-A74 HydrophobicContact CB-CB 3.78Å; G70-A74 VanDerWaalsContact O-CB 3.31Å; G70-A74 WeakPolarHBondContact O-CB 3.38Å; G70-A74 PolarHBondContact O-N 2.95Å; E71-A74 PolarHBondContact O-N 3.12Å; A74-A78 WeakPolarHBondContact O-CB 3.26Å; A74-A78 PolarHBondContact O-N 3.23Å
75L94.7Very high92.1Very high8 Ų840.8 Ų40.84%0.04221%0.212CC..Hα-helixtrans-65.4-41.6174.9-71.9170.4000112.1L56 A59 E71 A72 L73 A78 A79 F110 A111 V114L56-L75 HydrophobicContact CD1-CD2 4.02Å; A59-L75 HydrophobicContact CB-CD2 3.64Å; A59-L75 HydrophobicContact CB-CG 3.69Å; E71-L75 HydrophobicContact CG-CD1 3.93Å; E71-L75 HydrophobicContact CG-CG 4.48Å; E71-L75 WeakPolarHBondContact O-CB 3.31Å; E71-L75 VanDerWaalsContact O-CG 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.17Å; E71-L75 PolarHBondContact O-N 3.45Å; A72-L75 PolarHBondContact O-N 3.32Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.1Å; L75-A78 PolarHBondContact O-N 3.43Å; L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 3.35Å; L75-F110 HydrophobicContact CD1-CB 3.88Å; L75-F110 HydrophobicContact CD2-CB 4.48Å; L75-A111 HydrophobicContact CB-CB 3.93Å; L75-V114 HydrophobicContact CD1-CG2 4.41Å
76T94.4Very high92.1Very high4 Ų437.7 Ų37.73%0.02520%0.195CC..Hα-helixtrans-66.4-40.3178.257.40000112.3A72 L73 A79 R80 A111 Y115 L127A72-T76 VanDerWaalsContact O-CG2 3.31Å; A72-T76 WeakPolarHBondContact O-CG2 3.41Å; A72-T76 PolarHBondContact O-N 3.43Å; A72-T76 PolarHBondContact O-OG1 2.88Å; L73-T76 WeakPolarHBondContact CA-OG1 3.14Å; L73-T76 PolarHBondContact O-N 3.48Å; L73-T76 VanDerWaalsContact O-N 3.14Å; L73-T76 PolarHBondContact O-OG1 3.21Å; T76-A79 PolarHBondContact O-N 3.19Å; T76-R80 WeakPolarHBondContact O-CG 3.45Å; T76-R80 PolarHBondContact O-N 3.36Å; T76-A111 HydrophobicContact CG2-CB 3.85Å; T76-Y115 HydrophobicContact CG2-CE2 4.1Å; T76-L127 HydrophobicContact CG2-CD1 3.6Å; T76-L127 HydrophobicContact CG2-CD2 3.55Å; T76-L127 HydrophobicContact CG2-CG 4.24Å
77D93.4Very high92.1Very high62 Ų6232.3 Ų32.333%0.33217%0.172SC..Hα-helixtrans-66-43.4176.9-77-17.1000111.1L73 A79 R80 L81L73-D77 PolarHBondContact O-N 3.36Å; D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 PolarHBondContact O-N 2.89Å; D77-R80 PolarHBondContact O-N 3.37Å; D77-L81 WeakPolarHBondContact O-CD1 3.33Å; D77-L81 VanDerWaalsContact O-CG 3.29Å; D77-L81 WeakPolarHBondContact O-CG 3.43Å; D77-L81 PolarHBondContact O-N 2.86Å; D77-L81 VanDerWaalsContact O-N 3.13Å
78A94.6Very high92Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-59.2-44.9173.800000111.8D55 A74 L75 R80 L81 F82D55-A78 HydrophobicContact CB-CB 3.76Å; A74-A78 WeakPolarHBondContact O-CB 3.26Å; A74-A78 PolarHBondContact O-N 3.23Å; L75-A78 PolarHBondContact O-N 3.43Å; A78-R80 PolarHBondContact O-N 3.41Å; A78-L81 PolarHBondContact O-N 3.06Å; A78-F82 WeakPolarHBondContact O-CD2 3.45Å; A78-F82 PolarHBondContact O-N 3.43Å
79A94.6Very high91.8Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-62.7-43.1-179.200000112.2L75 T76 D77 L81 F82 L83 C107 Y108L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 3.35Å; T76-A79 PolarHBondContact O-N 3.19Å; D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 PolarHBondContact O-N 2.89Å; A79-L81 PolarHBondContact O-N 3.2Å; A79-F82 PolarHBondContact O-N 3.22Å; A79-L83 PolarHBondContact O-N 3.44Å; A79-C107 HydrophobicContact CB-CB 3.61Å; A79-Y108 HydrophobicContact CB-CD1 4.25Å; A79-Y108 HydrophobicContact CB-CD2 3.54Å; A79-Y108 HydrophobicContact CB-CE1 4.19Å; A79-Y108 HydrophobicContact CB-CE2 3.4Å; A79-Y108 VanDerWaalsContact CB-CE2 3.4Å; A79-Y108 HydrophobicContact CB-CG 3.94Å
80R93.9Very high91.5Very high105 Ų10534.7 Ų34.740%0.39617%0.168SC..Hα-helixtrans-62.1-42.4176.7-75.7172.7175.9162.40.6112.5T76 D77 A78 L83 L84 Y108 E130T76-R80 WeakPolarHBondContact O-CG 3.45Å; T76-R80 PolarHBondContact O-N 3.36Å; D77-R80 PolarHBondContact O-N 3.37Å; A78-R80 PolarHBondContact O-N 3.41Å; R80-L83 PolarHBondContact O-N 2.95Å; R80-L84 WeakPolarHBondContact O-CB 3.4Å; R80-L84 VanDerWaalsContact O-CG 3.31Å; R80-L84 WeakPolarHBondContact O-CG 3.12Å; R80-L84 PolarHBondContact O-N 3.12Å; R80-Y108 WeakPolarHBondContact CG-OH 3.34Å; R80-E130 VanDerWaalsContact CG-OE1 3.28Å; R80-E130 WeakPolarHBondContact CG-OE1 3.48Å; R80-E130 IonicContact CZ-OE1 3.78Å; R80-E130 IonicContact CZ-OE2 3.54Å; R80-E130 IonicContact NE-OE1 2.88Å; R80-E130 PolarHBondContact NE-OE1 2.86Å; R80-E130 IonicContact NE-OE2 2.92Å; R80-E130 PolarHBondContact NE-OE2 3.26Å; R80-E130 IonicContact NH2-OE1 3.77Å; R80-E130 IonicContact NH2-OE2 2.8Å; R80-E130 PolarHBondContact NH2-OE2 2.88Å
81L94Very high91.3Very high14 Ų1437.9 Ų37.97%0.07319%0.193CC..Hα-helixtrans-65.9-39.8177.5-66.8164.6000112.2K43 L48 A51 A52 D55 D77 A78 A79 L84 S85K43-L81 HydrophobicContact CD-CD2 4.35Å; K43-L81 HydrophobicContact CG-CD2 4.24Å; L48-L81 HydrophobicContact CD2-CD2 4.08Å; A51-L81 HydrophobicContact CB-CD1 4.08Å; A52-L81 HydrophobicContact CB-CB 3.72Å; A52-L81 HydrophobicContact CB-CD1 4.28Å; D55-L81 WeakPolarHBondContact OD2-CD1 3.24Å; D77-L81 WeakPolarHBondContact O-CD1 3.33Å; D77-L81 VanDerWaalsContact O-CG 3.29Å; D77-L81 WeakPolarHBondContact O-CG 3.43Å; D77-L81 PolarHBondContact O-N 2.86Å; D77-L81 VanDerWaalsContact O-N 3.13Å; A78-L81 PolarHBondContact O-N 3.06Å; A79-L81 PolarHBondContact O-N 3.2Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-S85 PolarHBondContact O-N 3.17Å
82F93.3Very high90.9Very high2 Ų243.2 Ų43.21%0.00922%0.221CC..Hα-helixtrans-63.7-42173.8-76.2-52.7000111.9A52 F53 A78 A79 S85 E86 H100 A103 A104A52-F82 HydrophobicContact CB-CD1 3.64Å; A52-F82 HydrophobicContact CB-CD2 3.79Å; A52-F82 HydrophobicContact CB-CE1 3.46Å; A52-F82 VanDerWaalsContact CB-CE1 3.46Å; A52-F82 HydrophobicContact CB-CE2 3.62Å; A52-F82 HydrophobicContact CB-CG 3.79Å; A52-F82 HydrophobicContact CB-CZ 3.44Å; A52-F82 VanDerWaalsContact CB-CZ 3.44Å; F53-F82 AromaticContact CD1-CZ 3.94Å; F53-F82 HydrophobicContact CD1-CZ 3.94Å; F53-F82 HydrophobicContact CE1-CE1 4.23Å; F53-F82 AromaticContact CE1-CZ 3.89Å; F53-F82 HydrophobicContact CE1-CZ 3.89Å; F53-F82 HydrophobicContact CE2-CE1 4.33Å; F53-F82 HydrophobicContact CG-CZ 4.35Å; F53-F82 HydrophobicContact CZ-CE1 4.13Å; F53-F82 HydrophobicContact CZ-CZ 4.26Å; A78-F82 WeakPolarHBondContact O-CD2 3.45Å; A78-F82 PolarHBondContact O-N 3.43Å; A79-F82 PolarHBondContact O-N 3.22Å; F82-S85 PolarHBondContact O-N 2.91Å; F82-E86 WeakPolarHBondContact O-CB 3.48Å; F82-E86 PolarHBondContact O-N 3.25Å; F82-H100 HydrophobicContact CD1-CB 4.44Å; F82-A103 HydrophobicContact CD1-CB 4.19Å; F82-A103 HydrophobicContact CD2-CB 3.99Å; F82-A103 HydrophobicContact CE1-CB 4.25Å; F82-A103 HydrophobicContact CE2-CB 4.06Å; F82-A103 HydrophobicContact CG-CB 4.08Å; F82-A103 HydrophobicContact CZ-CB 4.19Å; F82-A104 HydrophobicContact CB-CB 3.78Å
83L91.6Very high90.4Very high10 Ų1051.6 Ų51.65%0.05226%0.26CS..Hα-helixtrans-63.3-41.9174.3-75.1-175000112.5A79 R80 E86 K87 L101 A104 Y108 A134 M138A79-L83 PolarHBondContact O-N 3.44Å; R80-L83 PolarHBondContact O-N 2.95Å; L83-E86 PolarHBondContact O-N 3.07Å; L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 3.42Å; L83-L101 HydrophobicContact CD2-CD1 3.87Å; L83-A104 HydrophobicContact CD2-CB 3.7Å; L83-A104 HydrophobicContact CG-CB 3.82Å; L83-Y108 HydrophobicContact CD1-CE2 3.45Å; L83-Y108 VanDerWaalsContact CD1-CE2 3.45Å; L83-Y108 WeakPolarHBondContact CD1-OH 3.44Å; L83-Y108 HydrophobicContact CG-CE2 3.99Å; L83-A134 HydrophobicContact CD1-CB 3.81Å; L83-M138 HydrophobicContact CD2-CE 3.96Å
84L91.3Very high89.6Confident85 Ų8549.4 Ų49.445%0.44526%0.257SS..Hα-helixtrans-62.4-46.3177-74.4170.8000111.1L48 R80 L81 E86 K87 E88L48-L84 HydrophobicContact CD1-CB 4.01Å; R80-L84 WeakPolarHBondContact O-CB 3.4Å; R80-L84 VanDerWaalsContact O-CG 3.31Å; R80-L84 WeakPolarHBondContact O-CG 3.12Å; R80-L84 PolarHBondContact O-N 3.12Å; L81-L84 PolarHBondContact O-N 2.89Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.99Å; L84-K87 WeakPolarHBondContact O-CB 3.41Å; L84-K87 PolarHBondContact O-N 3.36Å; L84-K87 VanDerWaalsContact O-N 3.15Å; L84-E88 PolarHBondContact O-N 2.91Å
85S89.4Confident88.6Confident3 Ų355.9 Ų55.92%0.02130%0.298CS..Hα-helixtrans-60.9-36.7175.6-178.90000112.4Q49 L81 F82 E88 N89Q49-S85 WeakPolarHBondContact CG-OG 3.44Å; Q49-S85 PolarHBondContact NE2-OG 2.94Å; L81-S85 PolarHBondContact O-N 3.17Å; F82-S85 PolarHBondContact O-N 2.91Å; S85-E88 PolarHBondContact O-N 3.31Å; S85-N89 VanDerWaalsContact O-CG 3.27Å; S85-N89 PolarHBondContact O-N 2.97Å; S85-N89 PolarHBondContact O-ND2 3.38Å
86E88.1Confident87.4Confident8 Ų858.1 Ų58.14%0.03732%0.323CS..Hα-helixtrans-67.8-40.6176.2-175.162-155.500111.7F82 L83 L84 E88 N89 R90 H100 L101 M138F82-E86 WeakPolarHBondContact O-CB 3.48Å; F82-E86 PolarHBondContact O-N 3.25Å; L83-E86 PolarHBondContact O-N 3.07Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 2.99Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 3.06Å; E86-N89 PolarHBondContact O-N 2.68Å; E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 3.29Å; E86-R90 IonicContact OE1-CZ 3.12Å; E86-R90 IonicContact OE1-NE 3.85Å; E86-R90 PolarHBondContact OE1-NE 2.97Å; E86-R90 VanDerWaalsContact OE1-NE 3.15Å; E86-R90 IonicContact OE1-NH2 3.4Å; E86-H100 HydrophobicContact CB-CB 4.23Å; E86-H100 IonicContact OE2-CD2 2.82Å; E86-L101 HydrophobicContact CG-CB 4.06Å; E86-M138 HydrophobicContact CB-CE 4.21Å; E86-M138 HydrophobicContact CG-CE 3.99Å; E86-M138 HydrophobicContact CG-SD 4.35Å
87K87.9Confident86.6Confident77 Ų7766.8 Ų66.834%0.33536%0.361SS..Hα-helixtrans-61.1-41.7174.5-73.5179.8175.3-166.30111.5L83 L84 R90 A91 E137 M138L83-K87 WeakPolarHBondContact O-CG 3.33Å; L83-K87 PolarHBondContact O-N 3.42Å; L84-K87 WeakPolarHBondContact O-CB 3.41Å; L84-K87 PolarHBondContact O-N 3.36Å; L84-K87 VanDerWaalsContact O-N 3.15Å; K87-R90 PolarHBondContact O-N 3.06Å; K87-A91 WeakPolarHBondContact O-CB 3.23Å; K87-A91 PolarHBondContact O-N 2.87Å; K87-E137 WeakPolarHBondContact CE-OE2 3.5Å; K87-E137 IonicContact NZ-OE2 3.66Å; K87-E137 PolarHBondContact NZ-OE2 2.89Å; K87-M138 HydrophobicContact CG-CE 3.79Å
88E87.7Confident86.1Confident102 Ų10265.6 Ų65.648%0.47735%0.354SS..Hα-helixtrans-64.2-46175.5-72.5-179.5172.400112.1L48 L84 S85 E86 R90 A91 L92L48-E88 WeakPolarHBondContact CD1-OE1 3.27Å; L48-E88 WeakPolarHBondContact CD1-OE2 3.41Å; L84-E88 PolarHBondContact O-N 2.91Å; S85-E88 PolarHBondContact O-N 3.31Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 3.06Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 2.64Å; E88-A91 WeakPolarHBondContact O-CB 3.19Å; E88-A91 PolarHBondContact O-N 2.71Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.23Å
89N85.8Confident85.7Confident40 Ų4071.9 Ų71.921%0.21438%0.384CS..Hα-helixtrans-58.5-40.1176.8-74.5-15.3000112S85 E86 L92 Q93 A94 H100S85-N89 VanDerWaalsContact O-CG 3.27Å; S85-N89 PolarHBondContact O-N 2.97Å; S85-N89 PolarHBondContact O-ND2 3.38Å; E86-N89 PolarHBondContact O-N 2.68Å; N89-L92 CarbonylContact O-C 3.49Å; N89-L92 PolarHBondContact O-N 2.66Å; N89-Q93 PolarHBondContact O-N 3.11Å; N89-A94 PolarHBondContact O-N 2.75Å; N89-H100 PolarHBondContact ND2-CD2 2.86Å; N89-H100 VanDerWaalsContact ND2-CD2 3.29Å
90R83.2Confident85.3Confident68 Ų6873.2 Ų73.226%0.25739%0.39SS..Hα-helixtrans-71-38.2176.8-72.2177179-147.35.5113E86 K87 E88 L92 Q93 D98 M138 R140E86-R90 WeakPolarHBondContact O-CG 3.44Å; E86-R90 PolarHBondContact O-N 3.29Å; E86-R90 IonicContact OE1-CZ 3.12Å; E86-R90 IonicContact OE1-NE 3.85Å; E86-R90 PolarHBondContact OE1-NE 2.97Å; E86-R90 VanDerWaalsContact OE1-NE 3.15Å; E86-R90 IonicContact OE1-NH2 3.4Å; K87-R90 PolarHBondContact O-N 3.06Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 PolarHBondContact O-N 2.64Å; R90-L92 PolarHBondContact O-N 3.03Å; R90-Q93 WeakPolarHBondContact O-CA 3.3Å; R90-Q93 PolarHBondContact O-N 2.94Å; R90-D98 IonicContact NH2-OD1 2.88Å; R90-D98 PolarHBondContact NH2-OD1 3.19Å; R90-M138 VanDerWaalsContact NH1-CG 3.3Å; R90-M138 PolarHBondContact NH1-O 3.24Å; R90-R140 VanDerWaalsContact NH2-CZ 3.3Å; R90-R140 VanDerWaalsContact NH2-NH2 3.18Å
91A86.2Confident85.1Confident85 Ų8568.2 Ų68.270%0.70237%0.371SS*.Hα-helixtrans-60.3-35.3173.200000111.4K87 E88 Q93K87-A91 WeakPolarHBondContact O-CB 3.23Å; K87-A91 PolarHBondContact O-N 2.87Å; E88-A91 WeakPolarHBondContact O-CB 3.19Å; E88-A91 PolarHBondContact O-N 2.71Å; A91-Q93 PolarHBondContact O-N 3.48Å
92L86.4Confident84.9Confident136 Ų13671.9 Ų71.971%0.71239%0.388SS*.THydrogen-bonded Turntrans-79.4-2.8174.2-63.6173.5000113.7E88 N89 R90 A94E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.23Å; N89-L92 CarbonylContact O-C 3.49Å; N89-L92 PolarHBondContact O-N 2.66Å; R90-L92 PolarHBondContact O-N 3.03Å; L92-A94 PolarHBondContact O-N 3.15Å; L92-A94 VanDerWaalsContact O-N 3.12Å
93Q82.2Confident84.8Confident176 Ų17673.1 Ų73.182%0.82240%0.398SS*.THydrogen-bonded Turntrans50.631.7-174.1-60.2-174.8-21.500113.1N89 R90 A91N89-Q93 PolarHBondContact O-N 3.11Å; R90-Q93 WeakPolarHBondContact O-CA 3.3Å; R90-Q93 PolarHBondContact O-N 2.94Å; A91-Q93 PolarHBondContact O-N 3.48Å
94A76.2Confident84.9Confident51 Ų5172.6 Ų72.642%0.42140%0.396SS..  trans-70.2130.2178.800000109.4N89 L92 G96N89-A94 PolarHBondContact O-N 2.75Å; L92-A94 PolarHBondContact O-N 3.15Å; L92-A94 VanDerWaalsContact O-N 3.12Å; A94-G96 PolarHBondContact O-N 2.87Å
95P72.1Confident84.9Confident138 Ų13869.4 Ų69.490%0.89638%0.379SS*.  trans-66.4104.8172.126.1-31.4000108.9
96G69.6Low85.1Confident54 Ų5473.2 Ų73.256%0.55740%0.399SS*.  trans-120.9153.8178.400000111.9A94 D98A94-G96 PolarHBondContact O-N 2.87Å; G96-D98 VanDerWaalsContact C-N 3.25Å; G96-D98 PolarHBondContact O-N 2.74Å
97F77.2Confident85.4Confident187 Ų18773.1 Ų73.182%0.8240%0.399SS*.  trans-88.524.9178.1-65.9-80.2000113.3E99F97-E99 HydrophobicContact CB-CG 4.17Å; F97-E99 PolarHBondContact O-N 3.12Å; F97-E99 VanDerWaalsContact O-N 3.08Å
98D81.8Confident85.7Confident36 Ų3669.4 Ų69.419%0.19338%0.383CS..SBendtrans52.427.4-176.5-63.4-52.4000114.5R90 G96 H100 L101 Q102 R140R90-D98 IonicContact NH2-OD1 2.88Å; R90-D98 PolarHBondContact NH2-OD1 3.19Å; G96-D98 VanDerWaalsContact C-N 3.25Å; G96-D98 PolarHBondContact O-N 2.74Å; D98-H100 VanDerWaalsContact C-N 3.31Å; D98-H100 PolarHBondContact O-N 3.04Å; D98-L101 HydrophobicContact CB-CB 4.08Å; D98-L101 HydrophobicContact CB-CD2 4.4Å; D98-L101 WeakPolarHBondContact O-CB 3.26Å; D98-L101 PolarHBondContact O-N 3.45Å; D98-L101 VanDerWaalsContact O-N 3.16Å; D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.11Å; D98-R140 IonicContact OD1-CZ 3.94Å; D98-R140 IonicContact OD1-NH1 3.59Å; D98-R140 IonicContact OD1-NH2 3.84Å; D98-R140 PolarHBondContact OD1-NH2 3.39Å; D98-R140 IonicContact OD2-CZ 3.15Å; D98-R140 IonicContact OD2-NH1 3.2Å; D98-R140 PolarHBondContact OD2-NH1 2.88Å; D98-R140 IonicContact OD2-NH2 3.95Å; D98-R140 PolarHBondContact OD2-NH2 3.42Å
99E86.6Confident85.9Confident132 Ų13266.1 Ų66.162%0.61737%0.371SS*.Hα-helixtrans-61.8-40-175.7-64.1-176.4-178.700111.9F97 Q102 A103F97-E99 HydrophobicContact CB-CG 4.17Å; F97-E99 PolarHBondContact O-N 3.12Å; F97-E99 VanDerWaalsContact O-N 3.08Å; E99-Q102 PolarHBondContact O-N 3.03Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 2.94Å
100H86.9Confident86.3Confident28 Ų2869.3 Ų69.313%0.1338%0.383CS..Hα-helixtrans-70.2-36.4177.1-55-58000111.6Q49 F82 E86 N89 D98 A103 A104Q49-H100 VanDerWaalsContact CD-NE2 3.34Å; Q49-H100 PolarHBondContact NE2-NE2 2.94Å; Q49-H100 PolarHBondContact OE1-CE1 2.8Å; F82-H100 HydrophobicContact CD1-CB 4.44Å; E86-H100 HydrophobicContact CB-CB 4.23Å; E86-H100 IonicContact OE2-CD2 2.82Å; N89-H100 PolarHBondContact ND2-CD2 2.86Å; N89-H100 VanDerWaalsContact ND2-CD2 3.29Å; D98-H100 VanDerWaalsContact C-N 3.31Å; D98-H100 PolarHBondContact O-N 3.04Å; H100-A103 PolarHBondContact O-N 3.07Å; H100-A104 WeakPolarHBondContact O-CB 3.14Å; H100-A104 PolarHBondContact O-N 3.37Å
101L88.6Confident86.8Confident0 Ų066.1 Ų66.10%037%0.371CS..Hα-helixtrans-62.6-47.4173.9-175.159.4000111.6L83 E86 D98 A103 A104 L105 L135 M138L83-L101 HydrophobicContact CD2-CD1 3.87Å; E86-L101 HydrophobicContact CG-CB 4.06Å; D98-L101 HydrophobicContact CB-CB 4.08Å; D98-L101 HydrophobicContact CB-CD2 4.4Å; D98-L101 WeakPolarHBondContact O-CB 3.26Å; D98-L101 PolarHBondContact O-N 3.45Å; D98-L101 VanDerWaalsContact O-N 3.16Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.16Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.98Å; L101-L105 HydrophobicContact CG-CD1 4.31Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.16Å; L101-L135 HydrophobicContact CD1-CD2 4.14Å; L101-L135 HydrophobicContact CD2-CD2 4.47Å; L101-M138 HydrophobicContact CD1-CE 4.36Å; L101-M138 HydrophobicContact CD1-SD 3.77Å; L101-M138 HydrophobicContact CD2-SD 4.42Å
102Q91.3Very high87.1Confident91 Ų9162 Ų6243%0.42534%0.338SS..Hα-helixtrans-63.3-38.8177.1-68.3-59.7-39.800111.7D98 E99 L105 N106D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.11Å; E99-Q102 PolarHBondContact O-N 3.03Å; Q102-L105 PolarHBondContact O-N 3.04Å; Q102-N106 WeakPolarHBondContact O-CB 3.35Å; Q102-N106 VanDerWaalsContact O-CG 3.32Å; Q102-N106 PolarHBondContact O-N 3.07Å; Q102-N106 VanDerWaalsContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.86Å
103A90.9Very high87.4Confident28 Ų2860.7 Ų60.723%0.23133%0.326CS..Hα-helixtrans-61.6-44.3172.800000111.6F82 E99 H100 L101 N106 C107F82-A103 HydrophobicContact CD1-CB 4.19Å; F82-A103 HydrophobicContact CD2-CB 3.99Å; F82-A103 HydrophobicContact CE1-CB 4.25Å; F82-A103 HydrophobicContact CE2-CB 4.06Å; F82-A103 HydrophobicContact CG-CB 4.08Å; F82-A103 HydrophobicContact CZ-CB 4.19Å; E99-A103 WeakPolarHBondContact O-CB 3.41Å; E99-A103 PolarHBondContact O-N 2.94Å; H100-A103 PolarHBondContact O-N 3.07Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.16Å; A103-N106 PolarHBondContact O-N 3.15Å; A103-C107 PolarHBondContact O-N 3.34Å; A103-C107 PolarHBondContact O-SG 3.31Å
104A92.7Very high87.9Confident0 Ų052.7 Ų52.70%029%0.289CS..Hα-helixtrans-61.5-48.7176.400000112F82 L83 H100 L101 N106 C107 Y108F82-A104 HydrophobicContact CB-CB 3.78Å; L83-A104 HydrophobicContact CD2-CB 3.7Å; L83-A104 HydrophobicContact CG-CB 3.82Å; H100-A104 WeakPolarHBondContact O-CB 3.14Å; H100-A104 PolarHBondContact O-N 3.37Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.98Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 3Å; A104-C107 PolarHBondContact O-N 3.35Å; A104-C107 VanDerWaalsContact O-N 3.08Å; A104-Y108 VanDerWaalsContact O-CD2 3.29Å; A104-Y108 WeakPolarHBondContact O-CD2 3.48Å; A104-Y108 PolarHBondContact O-N 3.3Å
105L92.1Very high88.6Confident17 Ų1750.9 Ų50.99%0.08927%0.272CS..Hα-helixtrans-55.9-43.2178.4-73.8171.6000112.1L101 Q102 S109 L131 L135L101-L105 HydrophobicContact CG-CD1 4.31Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.16Å; Q102-L105 PolarHBondContact O-N 3.04Å; L105-S109 VanDerWaalsContact O-CB 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.34Å; L105-S109 PolarHBondContact O-N 3.4Å; L105-S109 PolarHBondContact O-OG 3.33Å; L105-L131 HydrophobicContact CD2-CD1 3.67Å; L105-L131 HydrophobicContact CD2-CD2 3.75Å; L105-L131 HydrophobicContact CD2-CG 4.12Å; L105-L135 HydrophobicContact CD2-CD1 4.37Å
106N93.5Very high89.5Confident84 Ų8447.7 Ų47.745%0.44925%0.246SC..Hα-helixtrans-65-45.8175.8-73.4-42000111.4Q102 A103 A104 S109 F110Q102-N106 WeakPolarHBondContact O-CB 3.35Å; Q102-N106 VanDerWaalsContact O-CG 3.32Å; Q102-N106 PolarHBondContact O-N 3.07Å; Q102-N106 VanDerWaalsContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.86Å; A103-N106 PolarHBondContact O-N 3.15Å; A104-N106 VanDerWaalsContact C-N 3.28Å; A104-N106 PolarHBondContact O-N 3Å; N106-S109 PolarHBondContact O-N 3Å; N106-F110 HydrophobicContact CB-CE2 4.28Å; N106-F110 WeakPolarHBondContact O-CD2 3.38Å; N106-F110 PolarHBondContact O-N 3.47Å
107C93.8Very high90.5Very high5 Ų552.4 Ų52.43%0.03425%0.254CS..Hα-helixtrans-60.9-46.2178.3-65.30000112A79 A103 A104 S109 F110 A111A79-C107 HydrophobicContact CB-CB 3.61Å; A103-C107 PolarHBondContact O-N 3.34Å; A103-C107 PolarHBondContact O-SG 3.31Å; A104-C107 PolarHBondContact O-N 3.35Å; A104-C107 VanDerWaalsContact O-N 3.08Å; C107-S109 VanDerWaalsContact C-N 3.35Å; C107-S109 PolarHBondContact O-N 3.32Å; C107-F110 PolarHBondContact O-N 3.15Å; C107-A111 WeakPolarHBondContact O-CB 3.48Å; C107-A111 PolarHBondContact O-N 3.23Å
108Y94.3Very high91.1Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-60.7-43.5173.4-81.9-70.7000111.7A79 R80 L83 A104 F110 A111 I112 L127 E130 L131A79-Y108 HydrophobicContact CB-CD1 4.25Å; A79-Y108 HydrophobicContact CB-CD2 3.54Å; A79-Y108 HydrophobicContact CB-CE1 4.19Å; A79-Y108 HydrophobicContact CB-CE2 3.4Å; A79-Y108 VanDerWaalsContact CB-CE2 3.4Å; A79-Y108 HydrophobicContact CB-CG 3.94Å; R80-Y108 WeakPolarHBondContact CG-OH 3.34Å; L83-Y108 HydrophobicContact CD1-CE2 3.45Å; L83-Y108 VanDerWaalsContact CD1-CE2 3.45Å; L83-Y108 WeakPolarHBondContact CD1-OH 3.44Å; L83-Y108 HydrophobicContact CG-CE2 3.99Å; A104-Y108 VanDerWaalsContact O-CD2 3.29Å; A104-Y108 WeakPolarHBondContact O-CD2 3.48Å; A104-Y108 PolarHBondContact O-N 3.3Å; Y108-F110 VanDerWaalsContact C-N 3.28Å; Y108-F110 PolarHBondContact O-N 3.15Å; Y108-A111 PolarHBondContact O-N 2.93Å; Y108-I112 WeakPolarHBondContact O-CB 3.29Å; Y108-I112 WeakPolarHBondContact O-CG1 3.23Å; Y108-I112 PolarHBondContact O-N 3.4Å; Y108-L127 HydrophobicContact CD1-CB 4.23Å; Y108-L127 HydrophobicContact CD1-CD2 4.29Å; Y108-L127 HydrophobicContact CE1-CD2 4Å; Y108-E130 PolarHBondContact OH-OE1 2.92Å; Y108-L131 HydrophobicContact CD2-CB 4.44Å; Y108-L131 HydrophobicContact CD2-CD1 3.9Å; Y108-L131 HydrophobicContact CD2-CD2 4.39Å; Y108-L131 HydrophobicContact CD2-CG 4.48Å; Y108-L131 HydrophobicContact CE2-CD1 4.27Å; Y108-L131 HydrophobicContact CG-CB 4.43Å; Y108-L131 HydrophobicContact CG-CD2 4.29Å
109S93.4Very high91.4Very high32 Ų3251.1 Ų51.122%0.22426%0.255CS..Hα-helixtrans-61.5-36.1179.3-66.20000112.7L105 N106 C107 K113L105-S109 VanDerWaalsContact O-CB 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.34Å; L105-S109 PolarHBondContact O-N 3.4Å; L105-S109 PolarHBondContact O-OG 3.33Å; N106-S109 PolarHBondContact O-N 3Å; C107-S109 VanDerWaalsContact C-N 3.35Å; C107-S109 PolarHBondContact O-N 3.32Å; S109-K113 VanDerWaalsContact O-CG 3.3Å; S109-K113 WeakPolarHBondContact O-CG 3.28Å; S109-K113 PolarHBondContact O-N 2.95Å
110F93.4Very high91.6Very high108 Ų10849.2 Ų49.247%0.47425%0.246SC..Hα-helixtrans-72-46172.6-68.1-58.8000111.7L75 N106 C107 Y108 I112 K113 V114L75-F110 HydrophobicContact CD1-CB 3.88Å; L75-F110 HydrophobicContact CD2-CB 4.48Å; N106-F110 HydrophobicContact CB-CE2 4.28Å; N106-F110 WeakPolarHBondContact O-CD2 3.38Å; N106-F110 PolarHBondContact O-N 3.47Å; C107-F110 PolarHBondContact O-N 3.15Å; Y108-F110 VanDerWaalsContact C-N 3.28Å; Y108-F110 PolarHBondContact O-N 3.15Å; F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 2.91Å; F110-K113 WeakPolarHBondContact O-CB 3.41Å; F110-K113 PolarHBondContact O-N 3.02Å; F110-K113 VanDerWaalsContact O-N 3.09Å; F110-V114 WeakPolarHBondContact O-CG2 3.49Å; F110-V114 PolarHBondContact O-N 3.26Å
111A93.3Very high91.6Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-57-45.7177.800000111.9L75 T76 C107 Y108 K113 V114 Y115 L127L75-A111 HydrophobicContact CB-CB 3.93Å; T76-A111 HydrophobicContact CG2-CB 3.85Å; C107-A111 WeakPolarHBondContact O-CB 3.48Å; C107-A111 PolarHBondContact O-N 3.23Å; Y108-A111 PolarHBondContact O-N 2.93Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 3.05Å; A111-V114 PolarHBondContact O-N 3.4Å; A111-Y115 WeakPolarHBondContact O-CD2 3.38Å; A111-Y115 PolarHBondContact O-N 2.96Å; A111-L127 HydrophobicContact CB-CD1 4.03Å
112I92.8Very high91.7Very high0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-59.5-40.8177.4-67.7165.9000111Y108 F110 Y115 I116 A124 L127 R150Y108-I112 WeakPolarHBondContact O-CB 3.29Å; Y108-I112 WeakPolarHBondContact O-CG1 3.23Å; Y108-I112 PolarHBondContact O-N 3.4Å; F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 2.91Å; I112-Y115 PolarHBondContact O-N 2.92Å; I112-I116 HydrophobicContact CG2-CD1 3.89Å; I112-I116 WeakPolarHBondContact O-CD1 3.19Å; I112-I116 VanDerWaalsContact O-CG1 3.25Å; I112-I116 WeakPolarHBondContact O-CG1 3.35Å; I112-I116 PolarHBondContact O-N 3.42Å; I112-A124 HydrophobicContact CG2-CB 4.12Å; I112-L127 HydrophobicContact CG1-CB 4.01Å; I112-L127 HydrophobicContact CG1-CD1 4.44Å; I112-R150 VanDerWaalsContact CG2-NH2 3.25Å
113K92.8Very high91.7Very high107 Ų10753.1 Ų53.147%0.46527%0.274SS..Hα-helixtrans-63.2-45.3176.7-73171.3-175.81790111.5S109 F110 A111 Y115 I116 E117S109-K113 VanDerWaalsContact O-CG 3.3Å; S109-K113 WeakPolarHBondContact O-CG 3.28Å; S109-K113 PolarHBondContact O-N 2.95Å; F110-K113 WeakPolarHBondContact O-CB 3.41Å; F110-K113 PolarHBondContact O-N 3.02Å; F110-K113 VanDerWaalsContact O-N 3.09Å; A111-K113 VanDerWaalsContact C-N 3.3Å; A111-K113 PolarHBondContact O-N 3.05Å; K113-Y115 PolarHBondContact O-N 3.21Å; K113-I116 PolarHBondContact O-N 3.17Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 3.01Å
114V91.9Very high91.7Very high9 Ų951.8 Ų51.86%0.05526%0.263CS..Hα-helixtrans-61.4-43.8177.9179.50000110.8A68 E71 A72 L75 F110 A111 I116 E117 M118A68-V114 HydrophobicContact CB-CG1 4.19Å; A68-V114 WeakPolarHBondContact O-CG1 3.47Å; E71-V114 HydrophobicContact CG-CG2 4.4Å; A72-V114 HydrophobicContact CB-CB 4.33Å; A72-V114 HydrophobicContact CB-CG1 3.88Å; L75-V114 HydrophobicContact CD1-CG2 4.41Å; F110-V114 WeakPolarHBondContact O-CG2 3.49Å; F110-V114 PolarHBondContact O-N 3.26Å; A111-V114 PolarHBondContact O-N 3.4Å; V114-I116 VanDerWaalsContact C-N 3.32Å; V114-I116 PolarHBondContact O-N 3.45Å; V114-E117 PolarHBondContact O-N 3.26Å; V114-M118 HydrophobicContact CG1-CG 4.46Å; V114-M118 HydrophobicContact CG1-SD 4.03Å; V114-M118 VanDerWaalsContact O-CG 3.28Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 3.3Å
115Y92.1Very high91.6Very high12 Ų1251.8 Ų51.85%0.04726%0.263CS..Hα-helixtrans-64.8-33.3176.8-79.5-64.4000113.7A72 T76 A111 I112 K113 M118 N119 Q120 M123 L127A72-Y115 HydrophobicContact CB-CD2 4.17Å; A72-Y115 HydrophobicContact CB-CE1 4.04Å; A72-Y115 HydrophobicContact CB-CE2 3.62Å; T76-Y115 HydrophobicContact CG2-CE2 4.1Å; A111-Y115 WeakPolarHBondContact O-CD2 3.38Å; A111-Y115 PolarHBondContact O-N 2.96Å; I112-Y115 PolarHBondContact O-N 2.92Å; K113-Y115 PolarHBondContact O-N 3.21Å; Y115-M118 PolarHBondContact O-N 3.46Å; Y115-N119 PolarHBondContact O-N 3.48Å; Y115-Q120 HydrophobicContact CD1-CB 4.41Å; Y115-Q120 PolarHBondContact O-N 2.96Å; Y115-M123 HydrophobicContact CD1-CB 3.66Å; Y115-M123 HydrophobicContact CD1-CG 4.41Å; Y115-M123 HydrophobicContact CE1-CB 3.9Å; Y115-M123 HydrophobicContact CE1-CG 4.36Å; Y115-M123 HydrophobicContact CG-CB 4.01Å; Y115-L127 HydrophobicContact CD2-CD1 3.46Å; Y115-L127 VanDerWaalsContact CD2-CD1 3.46Å; Y115-L127 HydrophobicContact CE2-CD1 3.44Å; Y115-L127 VanDerWaalsContact CE2-CD1 3.44Å
116I90.5Very high91.6Very high71 Ų7153.4 Ų53.436%0.36428%0.276SS..Hα-helixtrans-66.9-44.7172.9-68.5164.7000110.3I112 K113 V114 M118 N119 A124 L154I112-I116 HydrophobicContact CG2-CD1 3.89Å; I112-I116 WeakPolarHBondContact O-CD1 3.19Å; I112-I116 VanDerWaalsContact O-CG1 3.25Å; I112-I116 WeakPolarHBondContact O-CG1 3.35Å; I112-I116 PolarHBondContact O-N 3.42Å; K113-I116 PolarHBondContact O-N 3.17Å; V114-I116 VanDerWaalsContact C-N 3.32Å; V114-I116 PolarHBondContact O-N 3.45Å; I116-M118 PolarHBondContact O-N 3.31Å; I116-N119 PolarHBondContact O-N 2.97Å; I116-A124 HydrophobicContact CG1-CB 4.01Å; I116-L154 HydrophobicContact CD1-CD2 4.15Å; I116-L154 HydrophobicContact CG1-CD2 4.23Å
117E91.3Very high91.6Very high153 Ų15349.9 Ų49.972%0.71526%0.256SS*.Hα-helixtrans-62.1-31.3176-70.6173.9-17100112.4K113 V114 N119K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 3.01Å; V114-E117 PolarHBondContact O-N 3.26Å; E117-N119 PolarHBondContact O-N 3.24Å
118M89Confident91.6Very high54 Ų5449.6 Ų49.627%0.26626%0.255SS..THydrogen-bonded Turntrans-78.32.4174.1-69178.268.800114.3A68 P69 V114 Y115 I116 Q120A68-M118 HydrophobicContact CB-CG 3.88Å; A68-M118 HydrophobicContact CB-SD 3.73Å; P69-M118 HydrophobicContact CB-CE 3.75Å; P69-M118 HydrophobicContact CG-CE 4.23Å; V114-M118 HydrophobicContact CG1-CG 4.46Å; V114-M118 HydrophobicContact CG1-SD 4.03Å; V114-M118 VanDerWaalsContact O-CG 3.28Å; V114-M118 WeakPolarHBondContact O-CG 3.47Å; V114-M118 PolarHBondContact O-N 3.3Å; Y115-M118 PolarHBondContact O-N 3.46Å; I116-M118 PolarHBondContact O-N 3.31Å; M118-Q120 VanDerWaalsContact C-N 3.27Å; M118-Q120 PolarHBondContact O-N 3.02Å
119N89.5Confident91.5Very high143 Ų14351.5 Ų51.577%0.76526%0.264SS*.THydrogen-bonded Turntrans57.632.9-174.7-62.4-52.6000114.2Y115 I116 E117 P121Y115-N119 PolarHBondContact O-N 3.48Å; I116-N119 PolarHBondContact O-N 2.97Å; E117-N119 PolarHBondContact O-N 3.24Å; N119-P121 WeakPolarHBondContact O-CD 3.31Å
120Q88.9Confident91.5Very high91 Ų9152.8 Ų52.843%0.42527%0.267SS..  trans-114.371.8176.2-68.1-174.4-24.800111.2Y115 M118 V122 M123 A124Y115-Q120 HydrophobicContact CD1-CB 4.41Å; Y115-Q120 PolarHBondContact O-N 2.96Å; M118-Q120 VanDerWaalsContact C-N 3.27Å; M118-Q120 PolarHBondContact O-N 3.02Å; Q120-V122 VanDerWaalsContact C-N 3.26Å; Q120-V122 PolarHBondContact O-N 3.48Å; Q120-M123 HydrophobicContact CB-CB 4.37Å; Q120-M123 HydrophobicContact CB-CG 4.35Å; Q120-M123 PolarHBondContact O-N 3.28Å; Q120-A124 PolarHBondContact O-N 2.91Å
121P88.4Confident91.4Very high49 Ų4947.6 Ų47.632%0.31824%0.244SC..Hα-helixtrans-66.5-26.5-174.927.9-35.9000113.3N119 A124 A125N119-P121 WeakPolarHBondContact O-CD 3.31Å; P121-A124 WeakPolarHBondContact O-CB 3.49Å; P121-A124 PolarHBondContact O-N 3.27Å; P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 3.03Å
122V90Very high91.4Very high66 Ų6647.6 Ų47.640%0.424%0.244SC..Hα-helixtrans-64.4-41.8176.9-177.80000111.2Q120 A125 S126Q120-V122 VanDerWaalsContact C-N 3.26Å; Q120-V122 PolarHBondContact O-N 3.48Å; V122-A125 PolarHBondContact O-N 3.4Å; V122-S126 PolarHBondContact O-N 2.96Å
123M90.3Very high91.4Very high87 Ų8750.9 Ų50.943%0.42926%0.262SS..Hα-helixtrans-70.3-37.5176.5-64.5-61.6-76.100111.4Y115 Q120 A125 S126 L127Y115-M123 HydrophobicContact CD1-CB 3.66Å; Y115-M123 HydrophobicContact CD1-CG 4.41Å; Y115-M123 HydrophobicContact CE1-CB 3.9Å; Y115-M123 HydrophobicContact CE1-CG 4.36Å; Y115-M123 HydrophobicContact CG-CB 4.01Å; Q120-M123 HydrophobicContact CB-CB 4.37Å; Q120-M123 HydrophobicContact CB-CG 4.35Å; Q120-M123 PolarHBondContact O-N 3.28Å; M123-A125 VanDerWaalsContact C-N 3.31Å; M123-A125 PolarHBondContact O-N 3.17Å; M123-S126 PolarHBondContact O-OG 3.44Å; M123-L127 WeakPolarHBondContact O-CG 3.33Å; M123-L127 PolarHBondContact O-N 3.01Å
124A91Very high91.3Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-61.5-41.517300000111.7I112 I116 Q120 P121 S128 L154I112-A124 HydrophobicContact CG2-CB 4.12Å; I116-A124 HydrophobicContact CG1-CB 4.01Å; Q120-A124 PolarHBondContact O-N 2.91Å; P121-A124 WeakPolarHBondContact O-CB 3.49Å; P121-A124 PolarHBondContact O-N 3.27Å; A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 3.27Å; A124-L154 HydrophobicContact CB-CD1 3.9Å
125A91.9Very high91.2Very high0 Ų045.7 Ų45.70%024%0.24CC..Hα-helixtrans-67.6-42.917900000113P121 V122 M123 L127 S128 L129 L154 Q155P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 3.03Å; V122-A125 PolarHBondContact O-N 3.4Å; M123-A125 VanDerWaalsContact C-N 3.31Å; M123-A125 PolarHBondContact O-N 3.17Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.29Å; A125-S128 VanDerWaalsContact CA-OG 3.29Å; A125-S128 WeakPolarHBondContact CA-OG 3.5Å; A125-S128 PolarHBondContact O-N 3.01Å; A125-S128 VanDerWaalsContact O-N 3.14Å; A125-S128 PolarHBondContact O-OG 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 3.28Å; A125-L154 HydrophobicContact CB-CB 3.89Å; A125-Q155 HydrophobicContact CB-CG 3.46Å; A125-Q155 VanDerWaalsContact CB-CG 3.46Å
126S92.2Very high91Very high51 Ų5147.7 Ų47.736%0.35725%0.249SC..Hα-helixtrans-61.6-36.9178.367.30000112.1V122 M123 L129 E130V122-S126 PolarHBondContact O-N 2.96Å; M123-S126 PolarHBondContact O-OG 3.44Å; S126-L129 PolarHBondContact O-N 3.27Å; S126-E130 WeakPolarHBondContact O-CB 3.45Å; S126-E130 PolarHBondContact O-N 3.01Å
127L92.9Very high91Very high9 Ų950.4 Ų50.45%0.04726%0.26CS..Hα-helixtrans-67-39.8173.7-68.2176.2000113T76 Y108 A111 I112 Y115 M123 A125 L129 E130 L131T76-L127 HydrophobicContact CG2-CD1 3.6Å; T76-L127 HydrophobicContact CG2-CD2 3.55Å; T76-L127 HydrophobicContact CG2-CG 4.24Å; Y108-L127 HydrophobicContact CD1-CB 4.23Å; Y108-L127 HydrophobicContact CD1-CD2 4.29Å; Y108-L127 HydrophobicContact CE1-CD2 4Å; A111-L127 HydrophobicContact CB-CD1 4.03Å; I112-L127 HydrophobicContact CG1-CB 4.01Å; I112-L127 HydrophobicContact CG1-CD1 4.44Å; Y115-L127 HydrophobicContact CD2-CD1 3.46Å; Y115-L127 VanDerWaalsContact CD2-CD1 3.46Å; Y115-L127 HydrophobicContact CE2-CD1 3.44Å; Y115-L127 VanDerWaalsContact CE2-CD1 3.44Å; M123-L127 WeakPolarHBondContact O-CG 3.33Å; M123-L127 PolarHBondContact O-N 3.01Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 3.29Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 3.47Å
128S93.1Very high90.7Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-66.1-33.7173.644.20000112.9A124 A125 G132 A151A124-S128 PolarHBondContact O-N 2.95Å; A124-S128 PolarHBondContact O-OG 3.27Å; A125-S128 VanDerWaalsContact CA-OG 3.29Å; A125-S128 WeakPolarHBondContact CA-OG 3.5Å; A125-S128 PolarHBondContact O-N 3.01Å; A125-S128 VanDerWaalsContact O-N 3.14Å; A125-S128 PolarHBondContact O-OG 3.26Å; S128-G132 PolarHBondContact O-N 3.5Å; S128-A151 WeakPolarHBondContact OG-CA 3.39Å; S128-A151 VanDerWaalsContact OG-CB 3.3Å; S128-A151 WeakPolarHBondContact OG-CB 3.44Å
129L92.8Very high90.6Very high39 Ų3948 Ų4820%0.20425%0.253CS..Hα-helixtrans-67.8-45.5173.2-74.2176.4000112.1A125 S126 L127 L131 G132 N133 Y148 A151A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 3.28Å; S126-L129 PolarHBondContact O-N 3.27Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 2.66Å; L129-G132 PolarHBondContact O-N 2.9Å; L129-N133 WeakPolarHBondContact O-CB 3.4Å; L129-N133 VanDerWaalsContact O-CG 3.25Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 3.02Å; L129-Y148 HydrophobicContact CD2-CD1 3.78Å; L129-Y148 HydrophobicContact CD2-CE1 4.06Å; L129-A151 HydrophobicContact CD2-CB 3.78Å; L129-A151 HydrophobicContact CG-CB 3.79Å
130E93Very high90.5Very high59 Ų5944.1 Ų44.128%0.27623%0.227SC..Hα-helixtrans-56.9-44.5176.4-170.9-177.4140.900110.7R80 Y108 S126 L127 N133 A134R80-E130 VanDerWaalsContact CG-OE1 3.28Å; R80-E130 WeakPolarHBondContact CG-OE1 3.48Å; R80-E130 IonicContact CZ-OE1 3.78Å; R80-E130 IonicContact CZ-OE2 3.54Å; R80-E130 IonicContact NE-OE1 2.88Å; R80-E130 PolarHBondContact NE-OE1 2.86Å; R80-E130 IonicContact NE-OE2 2.92Å; R80-E130 PolarHBondContact NE-OE2 3.26Å; R80-E130 IonicContact NH2-OE1 3.77Å; R80-E130 IonicContact NH2-OE2 2.8Å; R80-E130 PolarHBondContact NH2-OE2 2.88Å; Y108-E130 PolarHBondContact OH-OE1 2.92Å; S126-E130 WeakPolarHBondContact O-CB 3.45Å; S126-E130 PolarHBondContact O-N 3.01Å; L127-E130 PolarHBondContact O-N 3.41Å; E130-N133 PolarHBondContact O-N 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.39Å; E130-A134 PolarHBondContact O-N 3.05Å
131L92.2Very high90.4Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-66.5-44.1177179.559.8000112.7L105 Y108 L127 L129 N133 A134 L135 H147L105-L131 HydrophobicContact CD2-CD1 3.67Å; L105-L131 HydrophobicContact CD2-CD2 3.75Å; L105-L131 HydrophobicContact CD2-CG 4.12Å; Y108-L131 HydrophobicContact CD2-CB 4.44Å; Y108-L131 HydrophobicContact CD2-CD1 3.9Å; Y108-L131 HydrophobicContact CD2-CD2 4.39Å; Y108-L131 HydrophobicContact CD2-CG 4.48Å; Y108-L131 HydrophobicContact CE2-CD1 4.27Å; Y108-L131 HydrophobicContact CG-CB 4.43Å; Y108-L131 HydrophobicContact CG-CD2 4.29Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 3.47Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 2.66Å; L131-N133 VanDerWaalsContact C-N 3.34Å; L131-N133 PolarHBondContact O-N 3.15Å; L131-A134 PolarHBondContact O-N 2.89Å; L131-L135 HydrophobicContact CD1-CD1 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.34Å; L131-L135 HydrophobicContact CG-CD1 4.18Å; L131-L135 WeakPolarHBondContact O-CG 3.25Å; L131-L135 PolarHBondContact O-N 3.27Å; L131-H147 WeakPolarHBondContact CD2-CE1 3.45Å; L131-H147 WeakPolarHBondContact CD2-ND1 3.41Å
132G92.7Very high90.4Very high0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-58.1-45.8175.600000112.1S128 L129 A134 L135 K136 Y148S128-G132 PolarHBondContact O-N 3.5Å; L129-G132 PolarHBondContact O-N 2.9Å; G132-A134 PolarHBondContact O-N 3.03Å; G132-L135 PolarHBondContact O-N 3.34Å; G132-K136 WeakPolarHBondContact O-CB 3.43Å; G132-K136 PolarHBondContact O-N 3.14Å; G132-Y148 VanDerWaalsContact C-CZ 3.46Å; G132-Y148 PolarHBondContact O-OH 2.98Å
133N92.3Very high90.4Very high69 Ų6941.1 Ų41.137%0.36922%0.217SC..Hα-helixtrans-63.3-43178.1-69.6-15.2000111.6L129 E130 L131 L135 K136 E137 Y148L129-N133 WeakPolarHBondContact O-CB 3.4Å; L129-N133 VanDerWaalsContact O-CG 3.25Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 3.02Å; E130-N133 PolarHBondContact O-N 3.27Å; L131-N133 VanDerWaalsContact C-N 3.34Å; L131-N133 PolarHBondContact O-N 3.15Å; N133-L135 VanDerWaalsContact C-N 3.34Å; N133-L135 PolarHBondContact O-N 3.45Å; N133-K136 PolarHBondContact O-N 3.41Å; N133-E137 WeakPolarHBondContact O-CG 3.48Å; N133-E137 PolarHBondContact O-N 3Å; N133-Y148 WeakPolarHBondContact CA-OH 3.43Å; N133-Y148 PolarHBondContact N-OH 3.48Å; N133-Y148 VanDerWaalsContact N-OH 3.15Å; N133-Y148 PolarHBondContact OD1-OH 2.92Å
134A90.7Very high90.5Very high6 Ų637 Ų375%0.0520%0.197CC..Hα-helixtrans-61.3-41.7175.800000112L83 E130 L131 G132 E137 M138L83-A134 HydrophobicContact CD1-CB 3.81Å; E130-A134 WeakPolarHBondContact O-CB 3.39Å; E130-A134 PolarHBondContact O-N 3.05Å; L131-A134 PolarHBondContact O-N 2.89Å; G132-A134 PolarHBondContact O-N 3.03Å; A134-E137 PolarHBondContact O-N 3.16Å; A134-M138 VanDerWaalsContact O-CB 3.23Å; A134-M138 WeakPolarHBondContact O-CB 3.42Å; A134-M138 WeakPolarHBondContact O-CG 3.27Å; A134-M138 PolarHBondContact O-N 3.07Å
135L90.4Very high90.5Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-67-37.5176.7-71.6169.4000112.5L101 L105 L131 G132 N133 M138 N139 R140 E143 A144 H147L101-L135 HydrophobicContact CD1-CD2 4.14Å; L101-L135 HydrophobicContact CD2-CD2 4.47Å; L105-L135 HydrophobicContact CD2-CD1 4.37Å; L131-L135 HydrophobicContact CD1-CD1 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.34Å; L131-L135 HydrophobicContact CG-CD1 4.18Å; L131-L135 WeakPolarHBondContact O-CG 3.25Å; L131-L135 PolarHBondContact O-N 3.27Å; G132-L135 PolarHBondContact O-N 3.34Å; N133-L135 VanDerWaalsContact C-N 3.34Å; N133-L135 PolarHBondContact O-N 3.45Å; L135-M138 CarbonylContact O-C 3.45Å; L135-M138 WeakPolarHBondContact O-CB 3.29Å; L135-M138 PolarHBondContact O-N 2.94Å; L135-N139 PolarHBondContact O-N 3.18Å; L135-R140 PolarHBondContact O-N 3.2Å; L135-E143 HydrophobicContact CD1-CB 4.17Å; L135-A144 HydrophobicContact CB-CB 3.88Å; L135-H147 WeakPolarHBondContact CD1-CD2 3.37Å
136K89Confident90.6Very high54 Ų5442.5 Ų42.524%0.23523%0.23CC..Hα-helixtrans-62.7-48.5174.2-170.2-179-176-178.60111.1G132 N133 M138 N139 E168 T171G132-K136 WeakPolarHBondContact O-CB 3.43Å; G132-K136 PolarHBondContact O-N 3.14Å; N133-K136 PolarHBondContact O-N 3.41Å; K136-M138 PolarHBondContact O-N 3.38Å; K136-N139 PolarHBondContact O-N 3.43Å; K136-E168 IonicContact NZ-OE2 2.64Å; K136-E168 PolarHBondContact NZ-OE2 3.42Å; K136-T171 PolarHBondContact NZ-OG1 2.88Å
137E88.9Confident90.6Very high129 Ų12941.4 Ų41.460%0.60322%0.219SC*.Hα-helixtrans-59.3-31.7173.7-72175.6177.900112.5K87 N133 A134 N139K87-E137 WeakPolarHBondContact CE-OE2 3.5Å; K87-E137 IonicContact NZ-OE2 3.66Å; K87-E137 PolarHBondContact NZ-OE2 2.89Å; N133-E137 WeakPolarHBondContact O-CG 3.48Å; N133-E137 PolarHBondContact O-N 3Å; A134-E137 PolarHBondContact O-N 3.16Å; E137-N139 PolarHBondContact O-N 3.3Å
138M85.7Confident90.6Very high13 Ų1341 Ų416%0.06422%0.217CC..THydrogen-bonded Turntrans-79.48.7177.3-82.8-173.3-163.900114.2L83 E86 K87 R90 L101 A134 L135 K136 R140L83-M138 HydrophobicContact CD2-CE 3.96Å; E86-M138 HydrophobicContact CB-CE 4.21Å; E86-M138 HydrophobicContact CG-CE 3.99Å; E86-M138 HydrophobicContact CG-SD 4.35Å; K87-M138 HydrophobicContact CG-CE 3.79Å; R90-M138 VanDerWaalsContact NH1-CG 3.3Å; R90-M138 PolarHBondContact NH1-O 3.24Å; L101-M138 HydrophobicContact CD1-CE 4.36Å; L101-M138 HydrophobicContact CD1-SD 3.77Å; L101-M138 HydrophobicContact CD2-SD 4.42Å; A134-M138 VanDerWaalsContact O-CB 3.23Å; A134-M138 WeakPolarHBondContact O-CB 3.42Å; A134-M138 WeakPolarHBondContact O-CG 3.27Å; A134-M138 PolarHBondContact O-N 3.07Å; L135-M138 CarbonylContact O-C 3.45Å; L135-M138 WeakPolarHBondContact O-CB 3.29Å; L135-M138 PolarHBondContact O-N 2.94Å; K136-M138 PolarHBondContact O-N 3.38Å; M138-R140 VanDerWaalsContact C-N 3.26Å; M138-R140 PolarHBondContact O-N 2.97Å
139N86.2Confident90.5Very high144 Ų14445.2 Ų45.277%0.7724%0.237SC*.THydrogen-bonded Turntrans57.231.9-176.2-69.6-34.4000114L135 K136 E137 P141L135-N139 PolarHBondContact O-N 3.18Å; K136-N139 PolarHBondContact O-N 3.43Å; E137-N139 PolarHBondContact O-N 3.3Å; N139-P141 VanDerWaalsContact O-CD 3.28Å; N139-P141 WeakPolarHBondContact O-CD 3.5Å
140R87.3Confident90.5Very high61 Ų6146.9 Ų46.923%0.2324%0.24CC..  trans-117.263.5173.8-63.9-172.7-174.3-168.90.9111.8R90 D98 L135 M138 G142 E143 A144R90-R140 VanDerWaalsContact NH2-CZ 3.3Å; R90-R140 VanDerWaalsContact NH2-NH2 3.18Å; D98-R140 IonicContact OD1-CZ 3.94Å; D98-R140 IonicContact OD1-NH1 3.59Å; D98-R140 IonicContact OD1-NH2 3.84Å; D98-R140 PolarHBondContact OD1-NH2 3.39Å; D98-R140 IonicContact OD2-CZ 3.15Å; D98-R140 IonicContact OD2-NH1 3.2Å; D98-R140 PolarHBondContact OD2-NH1 2.88Å; D98-R140 IonicContact OD2-NH2 3.95Å; D98-R140 PolarHBondContact OD2-NH2 3.42Å; L135-R140 PolarHBondContact O-N 3.2Å; M138-R140 VanDerWaalsContact C-N 3.26Å; M138-R140 PolarHBondContact O-N 2.97Å; R140-G142 PolarHBondContact O-N 3.03Å; R140-E143 PolarHBondContact O-N 2.66Å; R140-A144 PolarHBondContact O-N 2.86Å
141P87.8Confident90.4Very high25 Ų2544 Ų4416%0.16223%0.227CC..Hα-helixtrans-63.5-28.3-177.726.2-34.3000113N139 A144 I145 C172 L175 T176N139-P141 VanDerWaalsContact O-CD 3.28Å; N139-P141 WeakPolarHBondContact O-CD 3.5Å; P141-A144 WeakPolarHBondContact O-CB 3.45Å; P141-A144 PolarHBondContact O-N 3.15Å; P141-I145 WeakPolarHBondContact O-CG1 3.4Å; P141-I145 PolarHBondContact O-N 3.26Å; P141-C172 HydrophobicContact CB-CB 4.08Å; P141-L175 HydrophobicContact CB-CB 4.2Å; P141-L175 HydrophobicContact CB-CD1 4.43Å; P141-L175 HydrophobicContact CG-CB 4.15Å; P141-T176 HydrophobicContact CB-CG2 4.01Å; P141-T176 HydrophobicContact CG-CG2 3.81Å
142G89.2Confident90.2Very high40 Ų4044.2 Ų44.241%0.41223%0.228SC..Hα-helixtrans-62.3-44.9179.200000114.1R140 A144R140-G142 PolarHBondContact O-N 3.03Å; G142-A144 VanDerWaalsContact C-N 3.35Å
143E89.3Confident90.1Very high77 Ų7749.7 Ų49.736%0.3625%0.254SS..Hα-helixtrans-70.8-34.2175.8-68174.8-149.800111.2L135 R140 I145 V146 H147L135-E143 HydrophobicContact CD1-CB 4.17Å; R140-E143 PolarHBondContact O-N 2.66Å; E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 2.95Å; E143-V146 PolarHBondContact O-N 2.95Å; E143-H147 PolarHBondContact O-CD2 3.14Å; E143-H147 VanDerWaalsContact O-CD2 3.27Å
144A91.5Very high89.8Confident0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-62.7-34.3-179.300000113.1L135 R140 P141 G142 V146 H147 Y148L135-A144 HydrophobicContact CB-CB 3.88Å; R140-A144 PolarHBondContact O-N 2.86Å; P141-A144 WeakPolarHBondContact O-CB 3.45Å; P141-A144 PolarHBondContact O-N 3.15Å; G142-A144 VanDerWaalsContact C-N 3.35Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 PolarHBondContact O-N 3.14Å; A144-H147 PolarHBondContact O-N 3.44Å; A144-Y148 HydrophobicContact CB-CD2 4.09Å; A144-Y148 HydrophobicContact CB-CE2 3.73Å; A144-Y148 WeakPolarHBondContact O-CD2 3.49Å; A144-Y148 PolarHBondContact O-N 3.38Å
145I92.5Very high89.6Confident24 Ų2448.2 Ų48.212%0.12325%0.245CC..Hα-helixtrans-52.5-46.6-179.8-71.1160.6000111.7P141 E143 H147 Y148 Q149 M169 C172 K173 T176P141-I145 WeakPolarHBondContact O-CG1 3.4Å; P141-I145 PolarHBondContact O-N 3.26Å; E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 2.95Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.45Å; I145-Y148 PolarHBondContact O-N 3.34Å; I145-Q149 WeakPolarHBondContact O-CB 3.34Å; I145-Q149 PolarHBondContact O-N 2.9Å; I145-M169 HydrophobicContact CG2-CG 4.07Å; I145-M169 HydrophobicContact CG2-SD 4.22Å; I145-C172 HydrophobicContact CD1-CB 4.32Å; I145-C172 HydrophobicContact CG1-CB 3.64Å; I145-K173 HydrophobicContact CD1-CG 3.74Å; I145-K173 HydrophobicContact CG1-CG 4.1Å; I145-T176 HydrophobicContact CD1-CG2 4.26Å
146V92.6Very high89Confident93 Ų9351.8 Ų51.856%0.56427%0.266SS*.Hα-helixtrans-64.5-36-178-178.10000111.1E143 A144 R150E143-V146 PolarHBondContact O-N 2.95Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 PolarHBondContact O-N 3.14Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 PolarHBondContact O-N 2.97Å; V146-R150 VanDerWaalsContact O-N 3.07Å
147H92.4Very high88.6Confident27 Ų2757.7 Ų57.713%0.12530%0.295CS..Hα-helixtrans-72.7-39.7178.2-66.3-64.3000112.3L131 L135 E143 A144 I145 R150 A151L131-H147 WeakPolarHBondContact CD2-CE1 3.45Å; L131-H147 WeakPolarHBondContact CD2-ND1 3.41Å; L135-H147 WeakPolarHBondContact CD1-CD2 3.37Å; E143-H147 PolarHBondContact O-CD2 3.14Å; E143-H147 VanDerWaalsContact O-CD2 3.27Å; A144-H147 PolarHBondContact O-N 3.44Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.45Å; H147-R150 PolarHBondContact O-N 3.17Å; H147-A151 PolarHBondContact O-N 3.48Å
148Y93Very high88.3Confident0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-66-41.2173.6-69.4-59.3000112.4L129 G132 N133 A144 I145 R150 A151 A152 E168 C172L129-Y148 HydrophobicContact CD2-CD1 3.78Å; L129-Y148 HydrophobicContact CD2-CE1 4.06Å; G132-Y148 VanDerWaalsContact C-CZ 3.46Å; G132-Y148 PolarHBondContact O-OH 2.98Å; N133-Y148 WeakPolarHBondContact CA-OH 3.43Å; N133-Y148 PolarHBondContact N-OH 3.48Å; N133-Y148 VanDerWaalsContact N-OH 3.15Å; N133-Y148 PolarHBondContact OD1-OH 2.92Å; A144-Y148 HydrophobicContact CB-CD2 4.09Å; A144-Y148 HydrophobicContact CB-CE2 3.73Å; A144-Y148 WeakPolarHBondContact O-CD2 3.49Å; A144-Y148 PolarHBondContact O-N 3.38Å; I145-Y148 PolarHBondContact O-N 3.34Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 3.18Å; Y148-A151 WeakPolarHBondContact O-CB 3.25Å; Y148-A151 PolarHBondContact O-N 3Å; Y148-A152 PolarHBondContact O-N 3.48Å; Y148-E168 HydrophobicContact CD1-CB 3.91Å; Y148-E168 HydrophobicContact CD2-CB 4.47Å; Y148-E168 HydrophobicContact CE1-CB 3.72Å; Y148-E168 HydrophobicContact CE1-CG 4.29Å; Y148-E168 HydrophobicContact CE2-CB 4.3Å; Y148-E168 HydrophobicContact CG-CB 4.29Å; Y148-C172 VanDerWaalsContact CE2-SG 3.52Å
149Q92.2Very high88.1Confident90 Ų9055.9 Ų55.942%0.42129%0.289SS..Hα-helixtrans-59-46.8174.4-175.6-178.8-16.700111.1I145 A151 A152 E153 M169I145-Q149 WeakPolarHBondContact O-CB 3.34Å; I145-Q149 PolarHBondContact O-N 2.9Å; Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.4Å; Q149-A152 WeakPolarHBondContact O-CB 3.43Å; Q149-A152 PolarHBondContact O-N 2.93Å; Q149-E153 PolarHBondContact NE2-OE1 3.05Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.11Å; Q149-E153 WeakPolarHBondContact O-CG 3.42Å; Q149-E153 PolarHBondContact O-N 2.96Å; Q149-E153 VanDerWaalsContact O-N 3.07Å; Q149-M169 HydrophobicContact CB-SD 3.92Å; Q149-M169 HydrophobicContact CG-SD 4.49Å
150R91.1Very high88Confident73 Ų7352.7 Ų52.728%0.27527%0.272SS..Hα-helixtrans-61.6-37.8177-171.5174.4-176.7-175.3-0.6112.4I112 V146 H147 Y148 L154I112-R150 VanDerWaalsContact CG2-NH2 3.25Å; V146-R150 WeakPolarHBondContact O-CB 3.47Å; V146-R150 PolarHBondContact O-N 2.97Å; V146-R150 VanDerWaalsContact O-N 3.07Å; H147-R150 PolarHBondContact O-N 3.17Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 3.18Å; R150-L154 HydrophobicContact CG-CD1 4.17Å; R150-L154 VanDerWaalsContact O-CG 3.26Å; R150-L154 WeakPolarHBondContact O-CG 3.18Å; R150-L154 PolarHBondContact O-N 3.45Å
151A91.1Very high87.9Confident0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-62.4-45.3174.700000111.6S128 L129 H147 Y148 Q149 E153 L154 Q155S128-A151 WeakPolarHBondContact OG-CA 3.39Å; S128-A151 VanDerWaalsContact OG-CB 3.3Å; S128-A151 WeakPolarHBondContact OG-CB 3.44Å; L129-A151 HydrophobicContact CD2-CB 3.78Å; L129-A151 HydrophobicContact CG-CB 3.79Å; H147-A151 PolarHBondContact O-N 3.48Å; Y148-A151 WeakPolarHBondContact O-CB 3.25Å; Y148-A151 PolarHBondContact O-N 3Å; Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.4Å; A151-E153 VanDerWaalsContact C-N 3.34Å; A151-E153 PolarHBondContact O-N 3.49Å; A151-L154 PolarHBondContact O-N 2.95Å; A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 PolarHBondContact O-N 3.19Å
152A89.2Confident87.9Confident4 Ų451.9 Ų51.93%0.03327%0.269CS..Hα-helixtrans-60-42.8179.700000112.3Y148 Q149 Q155 S162 S165 M166Y148-A152 PolarHBondContact O-N 3.48Å; Q149-A152 WeakPolarHBondContact O-CB 3.43Å; Q149-A152 PolarHBondContact O-N 2.93Å; A152-Q155 PolarHBondContact O-N 2.78Å; A152-S162 PolarHBondContact O-OG 3.04Å; A152-S165 VanDerWaalsContact CA-OG 3.25Å; A152-S165 WeakPolarHBondContact CA-OG 3.25Å; A152-S165 WeakPolarHBondContact CB-OG 3.29Å; A152-S165 PolarHBondContact N-OG 3.27Å; A152-M166 HydrophobicContact CB-CE 4.13Å; A152-M166 HydrophobicContact CB-CG 3.89Å
153E89.5Confident87.9Confident115 Ų11550 Ų5054%0.53725%0.249SC..Hα-helixtrans-63.9-42.6177.3-70.6170.7-170.700111.7Q149 A151 Q155 T156Q149-E153 PolarHBondContact NE2-OE1 3.05Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.11Å; Q149-E153 WeakPolarHBondContact O-CG 3.42Å; Q149-E153 PolarHBondContact O-N 2.96Å; Q149-E153 VanDerWaalsContact O-N 3.07Å; A151-E153 VanDerWaalsContact C-N 3.34Å; A151-E153 PolarHBondContact O-N 3.49Å; E153-Q155 VanDerWaalsContact C-N 3.32Å; E153-Q155 PolarHBondContact O-N 3.38Å; E153-T156 PolarHBondContact O-OG1 3.5Å
154L87.3Confident87.9Confident37 Ų3751.4 Ų51.419%0.19426%0.258CS..Hα-helixtrans-70.1-28.4178.6-68.4170.4000112.7I116 A124 A125 R150 A151 T156I116-L154 HydrophobicContact CD1-CD2 4.15Å; I116-L154 HydrophobicContact CG1-CD2 4.23Å; A124-L154 HydrophobicContact CB-CD1 3.9Å; A125-L154 HydrophobicContact CB-CB 3.89Å; R150-L154 HydrophobicContact CG-CD1 4.17Å; R150-L154 VanDerWaalsContact O-CG 3.26Å; R150-L154 WeakPolarHBondContact O-CG 3.18Å; R150-L154 PolarHBondContact O-N 3.45Å; A151-L154 PolarHBondContact O-N 2.95Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 2.87Å
155Q85.8Confident87.9Confident6 Ų651.5 Ų51.53%0.02826%0.259CS..THydrogen-bonded Turntrans-87.519.1179.8-77.6168.5-26.500114.4A125 A151 A152 E153 Q157 Q158 E161A125-Q155 HydrophobicContact CB-CG 3.46Å; A125-Q155 VanDerWaalsContact CB-CG 3.46Å; A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 PolarHBondContact O-N 3.19Å; A152-Q155 PolarHBondContact O-N 2.78Å; E153-Q155 VanDerWaalsContact C-N 3.32Å; E153-Q155 PolarHBondContact O-N 3.38Å; Q155-Q157 PolarHBondContact O-N 3.09Å; Q155-Q158 CarbonylContact O-C 3.47Å; Q155-Q158 PolarHBondContact O-N 3.06Å; Q155-E161 HydrophobicContact CB-CB 4.45Å; Q155-E161 HydrophobicContact CG-CB 4.26Å; Q155-E161 PolarHBondContact NE2-OE2 3.22Å; Q155-E161 PolarHBondContact OE1-O 2.92Å
156T78.4Confident87.7Confident75 Ų7551.5 Ų51.546%0.4626%0.259SS..THydrogen-bonded Turntrans-55.7-23.5-179.5-58.70000113.4E153 L154 R196E153-T156 PolarHBondContact O-OG1 3.5Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 2.87Å; T156-R196 PolarHBondContact O-NH1 3.49Å
157Q79.1Confident87.6Confident178 Ų17848 Ų4883%0.83224%0.242SC*.THydrogen-bonded Turntrans-77.7-25176.8-64.5-102.7-26.700113.4Q155Q155-Q157 PolarHBondContact O-N 3.09Å
158Q82.3Confident87.5Confident72 Ų7250 Ų5034%0.33625%0.251SS..  trans-119.489.4-177-69.6175.4-78.700109.4Q155 I160 E161 S162Q155-Q158 CarbonylContact O-C 3.47Å; Q155-Q158 PolarHBondContact O-N 3.06Å; Q158-I160 VanDerWaalsContact C-N 3.27Å; Q158-I160 PolarHBondContact O-N 3.46Å; Q158-E161 HydrophobicContact CB-CB 4.35Å; Q158-E161 HydrophobicContact CB-CG 4.31Å; Q158-E161 PolarHBondContact NE2-OE1 2.88Å; Q158-E161 PolarHBondContact O-N 2.65Å; Q158-E161 PolarHBondContact OE1-OE2 3.11Å; Q158-S162 PolarHBondContact O-N 3.31Å; Q158-S162 VanDerWaalsContact O-N 3.17Å
159P81.8Confident87.5Confident33 Ų3350.3 Ų50.321%0.21425%0.253CS..Hα-helixtrans-61.5-32.3-169.822.9-33.4000113.8S162 L163 R196 F210P159-S162 PolarHBondContact O-N 3.29Å; P159-L163 WeakPolarHBondContact O-CB 3.36Å; P159-L163 VanDerWaalsContact O-CG 3.25Å; P159-L163 WeakPolarHBondContact O-CG 3.03Å; P159-L163 PolarHBondContact O-N 3.12Å; P159-R196 HydrophobicContact CB-CB 4.11Å; P159-R196 HydrophobicContact CG-CB 4.46Å; P159-F210 HydrophobicContact CB-CE1 4.43Å; P159-F210 HydrophobicContact CB-CZ 4.43Å; P159-F210 HydrophobicContact CG-CZ 4.25Å
160I84.9Confident87.4Confident77 Ų7746.2 Ų46.240%0.39523%0.234SC..Hα-helixtrans-65.6-44.6179.4-59.9175.9000110.8Q158 L163 L164 F210Q158-I160 VanDerWaalsContact C-N 3.27Å; Q158-I160 PolarHBondContact O-N 3.46Å; I160-L163 PolarHBondContact O-N 2.98Å; I160-L164 HydrophobicContact CG2-CD1 4.36Å; I160-L164 WeakPolarHBondContact O-CG 3.48Å; I160-L164 PolarHBondContact O-N 3.43Å; I160-F210 HydrophobicContact CD1-CE2 4.27Å; I160-F210 HydrophobicContact CD1-CZ 4.31Å; I160-F210 HydrophobicContact CG1-CE1 4.19Å; I160-F210 HydrophobicContact CG1-CE2 4.05Å; I160-F210 HydrophobicContact CG1-CZ 3.62Å
161E85.9Confident87.4Confident66 Ų6643.2 Ų43.231%0.30822%0.224SC..Hα-helixtrans-67.3-41.3179.1-63.5-176.7-167.100111.3Q155 Q158 L163 L164 S165Q155-E161 HydrophobicContact CB-CB 4.45Å; Q155-E161 HydrophobicContact CG-CB 4.26Å; Q155-E161 PolarHBondContact NE2-OE2 3.22Å; Q155-E161 PolarHBondContact OE1-O 2.92Å; Q158-E161 HydrophobicContact CB-CB 4.35Å; Q158-E161 HydrophobicContact CB-CG 4.31Å; Q158-E161 PolarHBondContact NE2-OE1 2.88Å; Q158-E161 PolarHBondContact O-N 2.65Å; Q158-E161 PolarHBondContact OE1-OE2 3.11Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 3.27Å; E161-L164 PolarHBondContact O-N 2.94Å; E161-S165 PolarHBondContact O-N 3.25Å
162S87.4Confident87.4Confident3 Ų343.2 Ų43.22%0.02122%0.224CC..Hα-helixtrans-58.2-45.9174.5-170.20000111.2A152 Q158 P159 L164 S165 M166A152-S162 PolarHBondContact O-OG 3.04Å; Q158-S162 PolarHBondContact O-N 3.31Å; Q158-S162 VanDerWaalsContact O-N 3.17Å; P159-S162 PolarHBondContact O-N 3.29Å; S162-L164 PolarHBondContact O-N 3.35Å; S162-S165 PolarHBondContact O-N 3.22Å; S162-S165 PolarHBondContact O-OG 3.34Å; S162-M166 WeakPolarHBondContact O-CG 3.07Å; S162-M166 PolarHBondContact O-N 3Å
163L88.5Confident87.4Confident0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-61.9-40.5175.7-73.6169.2000113.1P159 I160 E161 S165 M166 G167 M189 M192 C193 F210 I213P159-L163 WeakPolarHBondContact O-CB 3.36Å; P159-L163 VanDerWaalsContact O-CG 3.25Å; P159-L163 WeakPolarHBondContact O-CG 3.03Å; P159-L163 PolarHBondContact O-N 3.12Å; I160-L163 PolarHBondContact O-N 2.98Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 3.27Å; L163-S165 VanDerWaalsContact C-N 3.35Å; L163-M166 PolarHBondContact O-N 3.2Å; L163-G167 PolarHBondContact O-N 3.14Å; L163-M189 HydrophobicContact CD2-CB 4.03Å; L163-M189 HydrophobicContact CD2-CG 4.22Å; L163-M189 WeakPolarHBondContact CD2-O 3.46Å; L163-M189 VanDerWaalsContact O-CE 3.29Å; L163-M189 WeakPolarHBondContact O-CE 3.25Å; L163-M192 HydrophobicContact CD1-SD 4.5Å; L163-M192 HydrophobicContact CD2-CB 4.08Å; L163-M192 HydrophobicContact CD2-CE 4.39Å; L163-M192 HydrophobicContact CD2-CG 4.31Å; L163-M192 HydrophobicContact CD2-SD 3.72Å; L163-M192 HydrophobicContact CG-SD 3.69Å; L163-C193 WeakPolarHBondContact CD1-SG 3.38Å; L163-F210 HydrophobicContact CD1-CD1 3.53Å; L163-F210 HydrophobicContact CD1-CE1 3.45Å; L163-F210 VanDerWaalsContact CD1-CE1 3.45Å; L163-I213 HydrophobicContact CB-CD1 4.05Å; L163-I213 HydrophobicContact CD1-CD1 4.05Å
164L90Very high87.4Confident106 Ų10639.3 Ų39.356%0.55521%0.205SC*.Hα-helixtrans-63.7-42.3176.6-69.6172.5000111.2I160 E161 S162 G167 E168I160-L164 HydrophobicContact CG2-CD1 4.36Å; I160-L164 WeakPolarHBondContact O-CG 3.48Å; I160-L164 PolarHBondContact O-N 3.43Å; E161-L164 PolarHBondContact O-N 2.94Å; S162-L164 PolarHBondContact O-N 3.35Å; L164-G167 WeakPolarHBondContact O-CA 3.4Å; L164-G167 PolarHBondContact O-N 3.43Å; L164-E168 PolarHBondContact O-N 3.25Å
165S90.2Very high87.5Confident2 Ų242.3 Ų42.31%0.01422%0.221CC..Hα-helixtrans-64.9-38.6176.372.10000113A152 E161 S162 L163 G167 E168 M169A152-S165 VanDerWaalsContact CA-OG 3.25Å; A152-S165 WeakPolarHBondContact CA-OG 3.25Å; A152-S165 WeakPolarHBondContact CB-OG 3.29Å; A152-S165 PolarHBondContact N-OG 3.27Å; E161-S165 PolarHBondContact O-N 3.25Å; S162-S165 PolarHBondContact O-N 3.22Å; S162-S165 PolarHBondContact O-OG 3.34Å; L163-S165 VanDerWaalsContact C-N 3.35Å; S165-G167 VanDerWaalsContact C-N 3.33Å; S165-E168 PolarHBondContact O-N 3.12Å; S165-M169 PolarHBondContact O-N 3.45Å
166M89.7Confident87.6Confident24 Ų2444.6 Ų44.612%0.11824%0.235CC..Hα-helixtrans-66.1-35.6171.8-71.3-175.9170.800112.1A152 S162 L163 M169 A170 V185 M189 M192A152-M166 HydrophobicContact CB-CE 4.13Å; A152-M166 HydrophobicContact CB-CG 3.89Å; S162-M166 WeakPolarHBondContact O-CG 3.07Å; S162-M166 PolarHBondContact O-N 3Å; L163-M166 PolarHBondContact O-N 3.2Å; M166-M169 HydrophobicContact CB-CE 4.42Å; M166-M169 HydrophobicContact CG-CE 4.21Å; M166-M169 WeakPolarHBondContact O-CB 3.47Å; M166-M169 PolarHBondContact O-N 2.96Å; M166-A170 PolarHBondContact O-N 3.43Å; M166-V185 HydrophobicContact CB-CG1 4.25Å; M166-V185 WeakPolarHBondContact O-CG1 3.34Å; M166-M189 VanDerWaalsContact C-SD 3.59Å; M166-M189 HydrophobicContact CB-CE 4.43Å; M166-M189 HydrophobicContact CB-CG 3.51Å; M166-M189 HydrophobicContact CB-SD 3.7Å; M166-M189 HydrophobicContact CG-CG 4.34Å; M166-M189 HydrophobicContact SD-CG 3.92Å; M166-M192 HydrophobicContact CE-CE 3.39Å; M166-M192 HydrophobicContact SD-CE 3.44Å; M166-M192 WeakPolarHBondContact SD-CE 3.36Å
167G90.4Very high88Confident20 Ų2050.4 Ų50.421%0.20625%0.249CC..Hα-helixtrans-57.6-53.5172.100000111.2L163 L164 S165 M169 A170 T171L163-G167 PolarHBondContact O-N 3.14Å; L164-G167 WeakPolarHBondContact O-CA 3.4Å; L164-G167 PolarHBondContact O-N 3.43Å; S165-G167 VanDerWaalsContact C-N 3.33Å; G167-M169 VanDerWaalsContact C-N 3.28Å; G167-M169 PolarHBondContact O-N 3.47Å; G167-A170 WeakPolarHBondContact O-CB 3.13Å; G167-A170 PolarHBondContact O-N 3.35Å; G167-T171 VanDerWaalsContact O-CG2 3.23Å; G167-T171 WeakPolarHBondContact O-CG2 3.18Å; G167-T171 PolarHBondContact O-N 3.06Å
168E90.4Very high88.4Confident69 Ų6945.3 Ų45.332%0.32223%0.227SC..Hα-helixtrans-58.5-38.4175.6-68.6-62155.200112.4K136 Y148 L164 S165 T171 C172K136-E168 IonicContact NZ-OE2 2.64Å; K136-E168 PolarHBondContact NZ-OE2 3.42Å; Y148-E168 HydrophobicContact CD1-CB 3.91Å; Y148-E168 HydrophobicContact CD2-CB 4.47Å; Y148-E168 HydrophobicContact CE1-CB 3.72Å; Y148-E168 HydrophobicContact CE1-CG 4.29Å; Y148-E168 HydrophobicContact CE2-CB 4.3Å; Y148-E168 HydrophobicContact CG-CB 4.29Å; L164-E168 PolarHBondContact O-N 3.25Å; S165-E168 PolarHBondContact O-N 3.12Å; E168-T171 PolarHBondContact O-N 2.94Å; E168-T171 PolarHBondContact O-OG1 3.32Å; E168-C172 PolarHBondContact O-N 2.97Å; E168-C172 PolarHBondContact O-SG 3.5Å
169M91.9Very high88.6Confident7 Ų743.7 Ų43.73%0.03422%0.218CC..Hα-helixtrans-60.1-45.4172.4179.1174.453.400112.1I145 Q149 S165 M166 G167 T171 C172 K173 V185I145-M169 HydrophobicContact CG2-CG 4.07Å; I145-M169 HydrophobicContact CG2-SD 4.22Å; Q149-M169 HydrophobicContact CB-SD 3.92Å; Q149-M169 HydrophobicContact CG-SD 4.49Å; S165-M169 PolarHBondContact O-N 3.45Å; M166-M169 HydrophobicContact CB-CE 4.42Å; M166-M169 HydrophobicContact CG-CE 4.21Å; M166-M169 WeakPolarHBondContact O-CB 3.47Å; M166-M169 PolarHBondContact O-N 2.96Å; G167-M169 VanDerWaalsContact C-N 3.28Å; G167-M169 PolarHBondContact O-N 3.47Å; M169-T171 VanDerWaalsContact C-N 3.31Å; M169-T171 PolarHBondContact O-N 3.36Å; M169-C172 PolarHBondContact O-N 3.34Å; M169-K173 WeakPolarHBondContact O-CG 3.37Å; M169-K173 PolarHBondContact O-N 3.35Å; M169-V185 HydrophobicContact CE-CB 4.14Å; M169-V185 HydrophobicContact CE-CG1 3.56Å; M169-V185 HydrophobicContact CE-CG2 3.42Å; M169-V185 VanDerWaalsContact CE-CG2 3.42Å; M169-V185 HydrophobicContact CG-CG2 4.44Å; M169-V185 HydrophobicContact SD-CG2 4.14Å
170A90.8Very high88.9Confident4 Ų447.2 Ų47.23%0.03324%0.235CC..Hα-helixtrans-60.7-41.4176.700000111.3M166 G167 C172 K173 I174 V185 L186M166-A170 PolarHBondContact O-N 3.43Å; G167-A170 WeakPolarHBondContact O-CB 3.13Å; G167-A170 PolarHBondContact O-N 3.35Å; A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 3.05Å; A170-K173 PolarHBondContact O-N 3.13Å; A170-I174 WeakPolarHBondContact O-CG1 3.39Å; A170-I174 PolarHBondContact O-N 3.41Å; A170-V185 HydrophobicContact CB-CG1 4Å; A170-L186 HydrophobicContact CB-CD2 4.06Å; A170-L186 HydrophobicContact CB-CG 4.35Å
171T91.1Very high89Confident10 Ų1044 Ų446%0.06122%0.221CC..Hα-helixtrans-59.5-42.817577.60000111.4K136 G167 E168 M169 I174 L175 E297K136-T171 PolarHBondContact NZ-OG1 2.88Å; G167-T171 VanDerWaalsContact O-CG2 3.23Å; G167-T171 WeakPolarHBondContact O-CG2 3.18Å; G167-T171 PolarHBondContact O-N 3.06Å; E168-T171 PolarHBondContact O-N 2.94Å; E168-T171 PolarHBondContact O-OG1 3.32Å; M169-T171 VanDerWaalsContact C-N 3.31Å; M169-T171 PolarHBondContact O-N 3.36Å; T171-I174 PolarHBondContact O-N 3.38Å; T171-L175 WeakPolarHBondContact O-CG 3.38Å; T171-L175 PolarHBondContact O-N 3.35Å; T171-E297 WeakPolarHBondContact CB-OE1 3.44Å; T171-E297 VanDerWaalsContact CG2-CD 3.43Å; T171-E297 WeakPolarHBondContact CG2-OE1 3.35Å; T171-E297 WeakPolarHBondContact CG2-OE2 3.32Å
172C90.1Very high89.2Confident0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-66.6-39.6179.1-66.30000112P141 I145 Y148 E168 M169 A170 L175 T176P141-C172 HydrophobicContact CB-CB 4.08Å; I145-C172 HydrophobicContact CD1-CB 4.32Å; I145-C172 HydrophobicContact CG1-CB 3.64Å; Y148-C172 VanDerWaalsContact CE2-SG 3.52Å; E168-C172 PolarHBondContact O-N 2.97Å; E168-C172 PolarHBondContact O-SG 3.5Å; M169-C172 PolarHBondContact O-N 3.34Å; A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 3.05Å; C172-L175 PolarHBondContact O-N 3.04Å; C172-T176 WeakPolarHBondContact O-CG2 3.28Å; C172-T176 PolarHBondContact O-N 3.27Å; C172-T176 PolarHBondContact O-OG1 3.37Å
173K90.1Very high89.1Confident27 Ų2741.1 Ų41.112%0.11721%0.207CC..Hα-helixtrans-64.9-38.8176.3-71.9-168.3-177.7-169.20112.9I145 M169 A170 L175 T176 R177 D178 G181 A182 V185I145-K173 HydrophobicContact CD1-CG 3.74Å; I145-K173 HydrophobicContact CG1-CG 4.1Å; M169-K173 WeakPolarHBondContact O-CG 3.37Å; M169-K173 PolarHBondContact O-N 3.35Å; A170-K173 PolarHBondContact O-N 3.13Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-T176 WeakPolarHBondContact CA-OG1 3.47Å; K173-T176 PolarHBondContact O-N 2.96Å; K173-T176 PolarHBondContact O-OG1 3.06Å; K173-R177 PolarHBondContact O-N 3.14Å; K173-R177 VanDerWaalsContact O-N 3.17Å; K173-D178 PolarHBondContact O-N 3.48Å; K173-G181 WeakPolarHBondContact CD-O 3.4Å; K173-G181 PolarHBondContact NZ-O 2.8Å; K173-A182 HydrophobicContact CB-CB 3.95Å; K173-V185 HydrophobicContact CD-CG2 4.1Å; K173-V185 VanDerWaalsContact NZ-CG2 3.32Å
174I89.4Confident89.2Confident9 Ų943.1 Ų43.15%0.04622%0.222CC..Hα-helixtrans-61.5-44.7173-67.3163.8000110.1A170 T171 T176 R177 A182 L301A170-I174 WeakPolarHBondContact O-CG1 3.39Å; A170-I174 PolarHBondContact O-N 3.41Å; T171-I174 PolarHBondContact O-N 3.38Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 3.02Å; I174-R177 PolarHBondContact O-N 3.46Å; I174-A182 HydrophobicContact CG1-CB 3.98Å; I174-L301 HydrophobicContact CD1-CD1 4.06Å; I174-L301 HydrophobicContact CG1-CD2 4.45Å; I174-L301 HydrophobicContact CG2-CD2 3.83Å; I174-L301 HydrophobicContact CG2-CG 4.35Å
175L88.4Confident89.2Confident101 Ų10138.2 Ų38.253%0.52920%0.196SC..Hα-helixtrans-64.2-34.7177.6-68172.2000112.9P141 T171 C172 K173 R177P141-L175 HydrophobicContact CB-CB 4.2Å; P141-L175 HydrophobicContact CB-CD1 4.43Å; P141-L175 HydrophobicContact CG-CB 4.15Å; T171-L175 WeakPolarHBondContact O-CG 3.38Å; T171-L175 PolarHBondContact O-N 3.35Å; C172-L175 PolarHBondContact O-N 3.04Å; K173-L175 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 3.35Å
176T88.6Confident89.1Confident54 Ų5438.6 Ų38.633%0.33120%0.198SC..THydrogen-bonded Turntrans-80.71.9174.757.10000113.8P141 I145 C172 K173 I174 D178P141-T176 HydrophobicContact CB-CG2 4.01Å; P141-T176 HydrophobicContact CG-CG2 3.81Å; I145-T176 HydrophobicContact CD1-CG2 4.26Å; C172-T176 WeakPolarHBondContact O-CG2 3.28Å; C172-T176 PolarHBondContact O-N 3.27Å; C172-T176 PolarHBondContact O-OG1 3.37Å; K173-T176 WeakPolarHBondContact CA-OG1 3.47Å; K173-T176 PolarHBondContact O-N 2.96Å; K173-T176 PolarHBondContact O-OG1 3.06Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 3.02Å; T176-D178 PolarHBondContact O-N 2.88Å
177R86.3Confident89Confident197 Ų19737.8 Ų37.874%0.74319%0.194SC*.THydrogen-bonded Turntrans61.422.2-175.5-52.1179.9177.1-174.6-2.6114.5K173 I174 L175 Y179K173-R177 PolarHBondContact O-N 3.14Å; K173-R177 VanDerWaalsContact O-N 3.17Å; I174-R177 PolarHBondContact O-N 3.46Å; L175-R177 PolarHBondContact O-N 3.35Å; R177-Y179 VanDerWaalsContact C-N 3.33Å; R177-Y179 HydrophobicContact CB-CE2 4.19Å; R177-Y179 PolarHBondContact O-N 3.4Å
178D88.7Confident88.9Confident71 Ų7141.6 Ų41.638%0.3821%0.207SC..  trans-88.876171.5-177.49.8000109K173 T176 G181 A182K173-D178 PolarHBondContact O-N 3.48Å; T176-D178 PolarHBondContact O-N 2.88Å; D178-G181 PolarHBondContact OD1-N 2.82Å; D178-A182 WeakPolarHBondContact O-CB 3.48Å; D178-A182 PolarHBondContact O-N 2.94Å
179Y87.1Confident88.8Confident38 Ų3838.6 Ų38.615%0.14919%0.193CC..Hα-helixtrans-71-34.7-175.1-55.7-56.2000112.6R177 A182 L183 L224 L227 L301 L304R177-Y179 VanDerWaalsContact C-N 3.33Å; R177-Y179 HydrophobicContact CB-CE2 4.19Å; R177-Y179 PolarHBondContact O-N 3.4Å; Y179-A182 PolarHBondContact O-N 3.38Å; Y179-L183 PolarHBondContact O-N 2.93Å; Y179-L224 HydrophobicContact CD1-CD2 3.75Å; Y179-L224 HydrophobicContact CG-CD2 4.2Å; Y179-L227 HydrophobicContact CD1-CD2 4Å; Y179-L227 HydrophobicContact CD2-CD2 3.82Å; Y179-L227 HydrophobicContact CE1-CD2 3.98Å; Y179-L227 HydrophobicContact CE2-CD2 3.79Å; Y179-L227 HydrophobicContact CG-CD2 3.93Å; Y179-L301 HydrophobicContact CE1-CD2 4.38Å; Y179-L304 HydrophobicContact CE1-CD1 4.26Å; Y179-L304 VanDerWaalsContact OH-CD1 3.32Å; Y179-L304 WeakPolarHBondContact OH-CD1 3.39Å
180D86.6Confident88.4Confident106 Ų10638.8 Ų38.857%0.56719%0.194SC*.Hα-helixtrans-64.6-45.9175.4-74.4-41.8000110.6A182 L183 S184D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.04Å; D180-L183 WeakPolarHBondContact O-CB 3.43Å; D180-L183 PolarHBondContact O-N 3.33Å; D180-S184 PolarHBondContact O-N 2.88Å; D180-S184 VanDerWaalsContact O-N 3.14Å
181G87.6Confident88.1Confident11 Ų1141.6 Ų41.611%0.11321%0.208CC..Hα-helixtrans-65.7-30.1174.700000113.1K173 D178 S184 V185K173-G181 WeakPolarHBondContact CD-O 3.4Å; K173-G181 PolarHBondContact NZ-O 2.8Å; D178-G181 PolarHBondContact OD1-N 2.82Å; G181-S184 PolarHBondContact O-OG 2.75Å; G181-S184 VanDerWaalsContact O-OG 3.06Å; G181-V185 VanDerWaalsContact O-CG2 3.32Å; G181-V185 WeakPolarHBondContact O-CG2 3.44Å; G181-V185 PolarHBondContact O-N 3.24Å
182A89.3Confident87.7Confident0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-69.4-41.917400000111.3K173 I174 D178 Y179 D180 S184 V185 L186 L224K173-A182 HydrophobicContact CB-CB 3.95Å; I174-A182 HydrophobicContact CG1-CB 3.98Å; D178-A182 WeakPolarHBondContact O-CB 3.48Å; D178-A182 PolarHBondContact O-N 2.94Å; Y179-A182 PolarHBondContact O-N 3.38Å; D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.04Å; A182-S184 VanDerWaalsContact C-N 3.35Å; A182-S184 PolarHBondContact O-N 3.45Å; A182-V185 PolarHBondContact O-N 2.91Å; A182-L186 VanDerWaalsContact O-CG 3.3Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 2.7Å; A182-L224 HydrophobicContact CB-CD1 4.09Å
183L86.1Confident87.4Confident7 Ų742.2 Ų42.24%0.03721%0.21CC..Hα-helixtrans-58.3-45.1174.8-80.5-179.6000112.2Y179 D180 V185 L186 T187 R221 L224 L225 L228Y179-L183 PolarHBondContact O-N 2.93Å; D180-L183 WeakPolarHBondContact O-CB 3.43Å; D180-L183 PolarHBondContact O-N 3.33Å; L183-V185 VanDerWaalsContact C-N 3.32Å; L183-V185 PolarHBondContact O-N 2.91Å; L183-L186 PolarHBondContact O-N 3.27Å; L183-T187 PolarHBondContact O-N 3.46Å; L183-T187 PolarHBondContact O-OG1 3.21Å; L183-T187 VanDerWaalsContact O-OG1 3.14Å; L183-R221 HydrophobicContact CD2-CB 4.48Å; L183-R221 HydrophobicContact CD2-CG 3.84Å; L183-L224 HydrophobicContact CD2-CB 3.45Å; L183-L224 VanDerWaalsContact CD2-CB 3.45Å; L183-L224 HydrophobicContact CD2-CD1 3.89Å; L183-L224 HydrophobicContact CD2-CG 4.33Å; L183-L224 HydrophobicContact CG-CB 3.89Å; L183-L224 HydrophobicContact CG-CD1 4.15Å; L183-L225 HydrophobicContact CD1-CD2 4.1Å; L183-L225 HydrophobicContact CD2-CD2 4.4Å; L183-L225 HydrophobicContact CD2-CG 4.3Å; L183-L228 HydrophobicContact CD1-CD1 3.37Å; L183-L228 HydrophobicContact CG-CD1 4.11Å
184S90.1Very high86.9Confident43 Ų4345 Ų4530%0.30122%0.224SC..Hα-helixtrans-62.3-39.9-179.580.90000112.3D180 G181 A182 T187 E188D180-S184 PolarHBondContact O-N 2.88Å; D180-S184 VanDerWaalsContact O-N 3.14Å; G181-S184 PolarHBondContact O-OG 2.75Å; G181-S184 VanDerWaalsContact O-OG 3.06Å; A182-S184 VanDerWaalsContact C-N 3.35Å; A182-S184 PolarHBondContact O-N 3.45Å; S184-T187 VanDerWaalsContact C-OG1 3.29Å; S184-T187 WeakPolarHBondContact CA-OG1 3.46Å; S184-T187 PolarHBondContact O-N 2.98Å; S184-T187 PolarHBondContact O-OG1 3.3Å; S184-E188 WeakPolarHBondContact O-CG 3.34Å; S184-E188 PolarHBondContact O-N 3.04Å
185V90.2Very high86.4Confident2 Ų252 Ų521%0.01226%0.256CS..Hα-helixtrans-67.1-43.2177.4170.70000110.8M166 M169 A170 K173 G181 A182 L183 T187 E188 M189M166-V185 HydrophobicContact CB-CG1 4.25Å; M166-V185 WeakPolarHBondContact O-CG1 3.34Å; M169-V185 HydrophobicContact CE-CB 4.14Å; M169-V185 HydrophobicContact CE-CG1 3.56Å; M169-V185 HydrophobicContact CE-CG2 3.42Å; M169-V185 VanDerWaalsContact CE-CG2 3.42Å; M169-V185 HydrophobicContact CG-CG2 4.44Å; M169-V185 HydrophobicContact SD-CG2 4.14Å; A170-V185 HydrophobicContact CB-CG1 4Å; K173-V185 HydrophobicContact CD-CG2 4.1Å; K173-V185 VanDerWaalsContact NZ-CG2 3.32Å; G181-V185 VanDerWaalsContact O-CG2 3.32Å; G181-V185 WeakPolarHBondContact O-CG2 3.44Å; G181-V185 PolarHBondContact O-N 3.24Å; A182-V185 PolarHBondContact O-N 2.91Å; L183-V185 VanDerWaalsContact C-N 3.32Å; L183-V185 PolarHBondContact O-N 2.91Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 PolarHBondContact O-N 2.94Å; V185-E188 PolarHBondContact O-N 3.45Å; V185-M189 HydrophobicContact CG1-CG 4.38Å; V185-M189 HydrophobicContact CG1-SD 4.13Å; V185-M189 WeakPolarHBondContact O-CB 3.49Å; V185-M189 VanDerWaalsContact O-CG 3.27Å; V185-M189 WeakPolarHBondContact O-CG 3.22Å; V185-M189 PolarHBondContact O-N 3.14Å
186L88.3Confident85.8Confident10 Ų1051.9 Ų51.95%0.05225%0.249CC..Hα-helixtrans-65.1-34.2178.8-68.3171.8000112.3A170 A182 L183 M189 Q190 C217 L224A170-L186 HydrophobicContact CB-CD2 4.06Å; A170-L186 HydrophobicContact CB-CG 4.35Å; A182-L186 VanDerWaalsContact O-CG 3.3Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 2.7Å; L183-L186 PolarHBondContact O-N 3.27Å; L186-M189 HydrophobicContact CD2-SD 4.29Å; L186-Q190 PolarHBondContact O-N 3.36Å; L186-Q190 VanDerWaalsContact O-N 3.15Å; L186-C217 HydrophobicContact CD2-CB 4.25Å; L186-L224 HydrophobicContact CD1-CD1 3.57Å
187T87.7Confident84.8Confident8 Ų849.9 Ų49.95%0.04924%0.238CC..Hα-helixtrans-67.5-45.117242.80000112.2L183 S184 V185 M189 Q190 L191 E238 H239L183-T187 PolarHBondContact O-N 3.46Å; L183-T187 PolarHBondContact O-OG1 3.21Å; L183-T187 VanDerWaalsContact O-OG1 3.14Å; S184-T187 VanDerWaalsContact C-OG1 3.29Å; S184-T187 WeakPolarHBondContact CA-OG1 3.46Å; S184-T187 PolarHBondContact O-N 2.98Å; S184-T187 PolarHBondContact O-OG1 3.3Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 PolarHBondContact O-N 2.94Å; T187-M189 VanDerWaalsContact C-N 3.3Å; T187-M189 PolarHBondContact O-N 3.46Å; T187-Q190 PolarHBondContact O-N 3.01Å; T187-Q190 VanDerWaalsContact O-N 3.14Å; T187-L191 PolarHBondContact O-N 2.71Å; T187-E238 WeakPolarHBondContact CB-OE2 3.48Å; T187-E238 WeakPolarHBondContact CG2-OE2 3.26Å; T187-H239 WeakPolarHBondContact CG2-CE1 3.46Å
188E88.4Confident83.7Confident99 Ų9946.7 Ų46.746%0.46324%0.235SC..Hα-helixtrans-60.3-41.2176.2-74.4173.4-170.700111.7S184 V185 Q190 L191 M192S184-E188 WeakPolarHBondContact O-CG 3.34Å; S184-E188 PolarHBondContact O-N 3.04Å; V185-E188 PolarHBondContact O-N 3.45Å; E188-Q190 VanDerWaalsContact C-N 3.34Å; E188-Q190 PolarHBondContact O-N 3.18Å; E188-L191 PolarHBondContact O-N 3.47Å; E188-M192 WeakPolarHBondContact O-CB 3.38Å; E188-M192 PolarHBondContact O-N 2.94Å
189M87.2Confident82.5Confident7 Ų748.7 Ų48.73%0.03424%0.243CC..Hα-helixtrans-60.1-42.9174.8-74.1178.369.300112L163 M166 V185 L186 T187 M192 C193 I213L163-M189 HydrophobicContact CD2-CB 4.03Å; L163-M189 HydrophobicContact CD2-CG 4.22Å; L163-M189 WeakPolarHBondContact CD2-O 3.46Å; L163-M189 VanDerWaalsContact O-CE 3.29Å; L163-M189 WeakPolarHBondContact O-CE 3.25Å; M166-M189 VanDerWaalsContact C-SD 3.59Å; M166-M189 HydrophobicContact CB-CE 4.43Å; M166-M189 HydrophobicContact CB-CG 3.51Å; M166-M189 HydrophobicContact CB-SD 3.7Å; M166-M189 HydrophobicContact CG-CG 4.34Å; M166-M189 HydrophobicContact SD-CG 3.92Å; V185-M189 HydrophobicContact CG1-CG 4.38Å; V185-M189 HydrophobicContact CG1-SD 4.13Å; V185-M189 WeakPolarHBondContact O-CB 3.49Å; V185-M189 VanDerWaalsContact O-CG 3.27Å; V185-M189 WeakPolarHBondContact O-CG 3.22Å; V185-M189 PolarHBondContact O-N 3.14Å; L186-M189 HydrophobicContact CD2-SD 4.29Å; T187-M189 VanDerWaalsContact C-N 3.3Å; T187-M189 PolarHBondContact O-N 3.46Å; M189-M192 PolarHBondContact O-N 2.89Å; M189-C193 PolarHBondContact O-N 3.08Å; M189-C193 PolarHBondContact O-SG 3.12Å; M189-I213 HydrophobicContact CE-CG2 3.85Å
190Q84.1Confident81.1Confident10 Ų1051.7 Ų51.75%0.04726%0.261CS..Hα-helixtrans-68.6-42.8178.9-171177.92300112.1L186 T187 E188 M192 C193 Q194 E218L186-Q190 PolarHBondContact O-N 3.36Å; L186-Q190 VanDerWaalsContact O-N 3.15Å; T187-Q190 PolarHBondContact O-N 3.01Å; T187-Q190 VanDerWaalsContact O-N 3.14Å; E188-Q190 VanDerWaalsContact C-N 3.34Å; E188-Q190 PolarHBondContact O-N 3.18Å; Q190-M192 VanDerWaalsContact C-N 3.33Å; Q190-M192 PolarHBondContact O-N 2.69Å; Q190-C193 WeakPolarHBondContact O-CB 3.43Å; Q190-C193 PolarHBondContact O-N 3.38Å; Q190-Q194 WeakPolarHBondContact O-CG 3.44Å; Q190-Q194 PolarHBondContact O-N 2.9Å; Q190-E218 PolarHBondContact NE2-OE1 3.08Å
191L84.9Confident79.2Confident63 Ų6353 Ų5333%0.3328%0.275SS..Hα-helixtrans-58.2-46.6174.6-75.5170000110.9T187 E188 C193 Q194 E195 E238T187-L191 PolarHBondContact O-N 2.71Å; E188-L191 PolarHBondContact O-N 3.47Å; L191-C193 VanDerWaalsContact C-N 3.3Å; L191-C193 PolarHBondContact O-N 3.27Å; L191-Q194 PolarHBondContact O-N 2.99Å; L191-E195 WeakPolarHBondContact O-CG 3.44Å; L191-E195 PolarHBondContact O-N 3.17Å; L191-E238 WeakPolarHBondContact CD1-OE1 3.37Å; L191-E238 WeakPolarHBondContact CD2-OE1 3.31Å
192M82.9Confident77.6Confident23 Ų2356.6 Ų56.611%0.11331%0.312CS..Hα-helixtrans-61.5-38.2176.9-169.6-162.6-57.400112L163 M166 E188 M189 Q190 Q194 R196L163-M192 HydrophobicContact CD1-SD 4.5Å; L163-M192 HydrophobicContact CD2-CB 4.08Å; L163-M192 HydrophobicContact CD2-CE 4.39Å; L163-M192 HydrophobicContact CD2-CG 4.31Å; L163-M192 HydrophobicContact CD2-SD 3.72Å; L163-M192 HydrophobicContact CG-SD 3.69Å; M166-M192 HydrophobicContact CE-CE 3.39Å; M166-M192 HydrophobicContact SD-CE 3.44Å; M166-M192 WeakPolarHBondContact SD-CE 3.36Å; E188-M192 WeakPolarHBondContact O-CB 3.38Å; E188-M192 PolarHBondContact O-N 2.94Å; M189-M192 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact C-N 3.33Å; Q190-M192 PolarHBondContact O-N 2.69Å; M192-Q194 VanDerWaalsContact C-N 3.32Å; M192-Q194 PolarHBondContact O-N 3.47Å; M192-R196 HydrophobicContact CG-CG 4.41Å; M192-R196 WeakPolarHBondContact O-CB 3.4Å; M192-R196 PolarHBondContact O-N 2.97Å
193C83Confident76.1Confident0 Ų059.8 Ų59.80%033%0.331CS..Hα-helixtrans-64.3-35.8173.9-68.80000112.5L163 M189 Q190 L191 G197 F210 V214L163-C193 WeakPolarHBondContact CD1-SG 3.38Å; M189-C193 PolarHBondContact O-N 3.08Å; M189-C193 PolarHBondContact O-SG 3.12Å; Q190-C193 WeakPolarHBondContact O-CB 3.43Å; Q190-C193 PolarHBondContact O-N 3.38Å; L191-C193 VanDerWaalsContact C-N 3.3Å; L191-C193 PolarHBondContact O-N 3.27Å; C193-G197 WeakPolarHBondContact O-CA 3.4Å; C193-G197 PolarHBondContact O-N 2.93Å; C193-F210 HydrophobicContact CB-CD1 4.4Å; C193-V214 HydrophobicContact CB-CG2 3.53Å
194Q79.5Confident74.7Confident86 Ų8664.3 Ų64.340%0.40236%0.364SS..Hα-helixtrans-72.9-41.6177.6-70.8176.19.300111.9Q190 L191 M192 Q199Q190-Q194 WeakPolarHBondContact O-CG 3.44Å; Q190-Q194 PolarHBondContact O-N 2.9Å; L191-Q194 PolarHBondContact O-N 2.99Å; M192-Q194 VanDerWaalsContact C-N 3.32Å; M192-Q194 PolarHBondContact O-N 3.47Å; Q194-Q199 PolarHBondContact O-NE2 3.34Å
195E79.8Confident73.4Confident156 Ų15664 Ų6473%0.72936%0.36SS*.Hα-helixtrans-72.3-38.3-179.1-70.8-176.7165.700113.2L191L191-E195 WeakPolarHBondContact O-CG 3.44Å; L191-E195 PolarHBondContact O-N 3.17Å
196R75.8Confident72.1Confident99 Ų9964.3 Ų64.337%0.37436%0.362SS..Hα-helixtrans-112.7-7.6-170.8-56.3-171.9177.9-165.7-5.8114.3T156 P159 M192T156-R196 PolarHBondContact O-NH1 3.49Å; P159-R196 HydrophobicContact CB-CB 4.11Å; P159-R196 HydrophobicContact CG-CB 4.46Å; M192-R196 HydrophobicContact CG-CG 4.41Å; M192-R196 WeakPolarHBondContact O-CB 3.4Å; M192-R196 PolarHBondContact O-N 2.97Å
197G67.7Low71.1Confident11 Ų1167.1 Ų67.111%0.11338%0.379CS..SBendtrans-67.1148.117600000111.7C193 Q199C193-G197 WeakPolarHBondContact O-CA 3.4Å; C193-G197 PolarHBondContact O-N 2.93Å; G197-Q199 PolarHBondContact O-N 3.16Å
198L62.2Low70.6Confident130 Ų13068.8 Ų68.868%0.68140%0.398SS*.  trans-67.9106.2169.6-74.2161.5000108.3V207L198-V207 PolarHBondContact O-N 3.25Å
199Q63.6Low70.1Confident114 Ų11466.5 Ų66.553%0.53340%0.397SS..BIsolated β-bridgetrans-89.3134.1174.1-63.2178-3.700109.4Q194 G197Q194-Q199 PolarHBondContact O-NE2 3.34Å; G197-Q199 PolarHBondContact O-N 3.16Å
200L57.3Low69.8Low101 Ų10166.9 Ų66.953%0.52940%0.398SS..PPolyproline II helixtrans-72.8142.1164.3-77.3152.6000108.8G202 T203 V207L200-G202 PolarHBondContact O-N 2.79Å; L200-T203 WeakPolarHBondContact CB-OG1 3.46Å; L200-T203 PolarHBondContact O-N 3.27Å; L200-T203 VanDerWaalsContact O-N 3.16Å; L200-V207 HydrophobicContact CD1-CG2 3.56Å; L200-V207 HydrophobicContact CG-CG2 3.89Å
201P47.6Very low69.7Low134 Ų13468.8 Ų68.887%0.8741%0.408SS*.THydrogen-bonded Turntrans-58.8116.2175.9-13.123.5000109.8
202G54.2Low69.6Low86 Ų8670.7 Ų70.789%0.88742%0.419SS*.THydrogen-bonded Turntrans101-1.9178.200000116.2L200L200-G202 PolarHBondContact O-N 2.79Å
203T56.8Low69.6Low66 Ų6670.6 Ų70.641%0.40542%0.419SS..  trans-131.8130.8173.659.10000110.9L200 T205L200-T203 WeakPolarHBondContact CB-OG1 3.46Å; L200-T203 PolarHBondContact O-N 3.27Å; L200-T203 VanDerWaalsContact O-N 3.16Å; T203-T205 PolarHBondContact O-N 3.08Å; T203-T205 VanDerWaalsContact O-N 3.16Å
204S58.1Low69.7Low103 Ų10370.9 Ų70.972%0.7242%0.42SS*.  trans-76.311.2175.553.30000113.8
205T61.3Low69.9Low35 Ų3567.4 Ų67.422%0.21541%0.407CS..PPolyproline II helixtrans-91.9127.5-177.849.40000110.9T203T203-T205 PolarHBondContact O-N 3.08Å; T203-T205 VanDerWaalsContact O-N 3.16Å
206P63.1Low70.2Confident9 Ų966.5 Ų66.56%0.05840%0.4CS..BIsolated β-bridgetrans-74141.3176.530.5-33.6000110.5F210 L211 V214P206-F210 HydrophobicContact CB-CB 3.8Å; P206-F210 HydrophobicContact CG-CB 4.36Å; P206-L211 VanDerWaalsContact O-CD1 3.26Å; P206-L211 WeakPolarHBondContact O-CD1 3.06Å; P206-V214 HydrophobicContact CG-CG2 4.02Å
207V68.5Low70.6Confident69 Ų6962 Ų6242%0.41838%0.384SS..PPolyproline II helixtrans-100.3142.4-178.2-175.90000111.6L198 L200L198-V207 PolarHBondContact O-N 3.25Å; L200-V207 HydrophobicContact CD1-CG2 3.56Å; L200-V207 HydrophobicContact CG-CG2 3.89Å
208G77.2Confident71.4Confident43 Ų4361.5 Ų61.544%0.44338%0.379SS..THydrogen-bonded Turntrans86.4-140.5171.100000113.7F210 L211G208-F210 PolarHBondContact O-N 3.46Å; G208-L211 WeakPolarHBondContact O-CB 3.48Å; G208-L211 PolarHBondContact O-N 3.42Å
209A78.4Confident72.6Confident52 Ų5256 Ų5643%0.4335%0.35SS..Hα-helixtrans-57.4-25.6-175.600000114.1L211 I213A209-L211 VanDerWaalsContact C-N 3.31Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.39Å
210F79.8Confident73.8Confident14 Ų1451.1 Ų51.16%0.06133%0.328CS..Hα-helixtrans-67-31.5173.7-66.9-80.7000112.7P159 I160 L163 C193 P206 G208 I213 V214P159-F210 HydrophobicContact CB-CE1 4.43Å; P159-F210 HydrophobicContact CB-CZ 4.43Å; P159-F210 HydrophobicContact CG-CZ 4.25Å; I160-F210 HydrophobicContact CD1-CE2 4.27Å; I160-F210 HydrophobicContact CD1-CZ 4.31Å; I160-F210 HydrophobicContact CG1-CE1 4.19Å; I160-F210 HydrophobicContact CG1-CE2 4.05Å; I160-F210 HydrophobicContact CG1-CZ 3.62Å; L163-F210 HydrophobicContact CD1-CD1 3.53Å; L163-F210 HydrophobicContact CD1-CE1 3.45Å; L163-F210 VanDerWaalsContact CD1-CE1 3.45Å; C193-F210 HydrophobicContact CB-CD1 4.4Å; P206-F210 HydrophobicContact CB-CB 3.8Å; P206-F210 HydrophobicContact CG-CB 4.36Å; G208-F210 PolarHBondContact O-N 3.46Å; F210-I213 PolarHBondContact O-N 2.97Å; F210-V214 VanDerWaalsContact O-CG2 3.29Å; F210-V214 WeakPolarHBondContact O-CG2 3.42Å; F210-V214 PolarHBondContact O-N 3.43Å
211L81.4Confident75.2Confident50 Ų5046.4 Ų46.426%0.26230%0.303SS..Hα-helixtrans-62.4-46.4177.3-165.782.2000110.7P206 G208 A209 I213 V214 A215 F259P206-L211 VanDerWaalsContact O-CD1 3.26Å; P206-L211 WeakPolarHBondContact O-CD1 3.06Å; G208-L211 WeakPolarHBondContact O-CB 3.48Å; G208-L211 PolarHBondContact O-N 3.42Å; A209-L211 VanDerWaalsContact C-N 3.31Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.17Å; L211-V214 PolarHBondContact O-N 3.18Å; L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 3.43Å; L211-F259 HydrophobicContact CD1-CB 3.34Å; L211-F259 HydrophobicContact CG-CB 3.82Å
212D83Confident77.1Confident103 Ų10340.1 Ų40.155%0.55126%0.262SS*.Hα-helixtrans-63.7-37.9179.5-63.7-21.2000111.6K216D212-K216 WeakPolarHBondContact O-CG 3.46Å; D212-K216 PolarHBondContact O-N 2.96Å; D212-K216 VanDerWaalsContact O-N 3.1Å
213I83.5Confident78.6Confident22 Ų2236 Ų3611%0.11322%0.22CC..Hα-helixtrans-67.1-46.1176.5-64.8168.2000110.1L163 M189 A209 F210 L211 A215 K216 C217L163-I213 HydrophobicContact CB-CD1 4.05Å; L163-I213 HydrophobicContact CD1-CD1 4.05Å; M189-I213 HydrophobicContact CE-CG2 3.85Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.39Å; F210-I213 PolarHBondContact O-N 2.97Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.17Å; I213-A215 PolarHBondContact O-N 2.87Å; I213-K216 PolarHBondContact O-N 3.15Å; I213-C217 PolarHBondContact O-N 3.45Å; I213-C217 PolarHBondContact O-SG 3.33Å
214V84.7Confident80Confident5 Ų532.9 Ų32.93%0.0320%0.201CC..Hα-helixtrans-62-43.2177.2171.10000111.2C193 P206 F210 L211 K216 C217 E218 F259C193-V214 HydrophobicContact CB-CG2 3.53Å; P206-V214 HydrophobicContact CG-CG2 4.02Å; F210-V214 VanDerWaalsContact O-CG2 3.29Å; F210-V214 WeakPolarHBondContact O-CG2 3.42Å; F210-V214 PolarHBondContact O-N 3.43Å; L211-V214 PolarHBondContact O-N 3.18Å; V214-K216 PolarHBondContact O-N 3.45Å; V214-C217 PolarHBondContact O-N 2.88Å; V214-E218 HydrophobicContact CG1-CG 4.16Å; V214-E218 WeakPolarHBondContact O-CB 3.44Å; V214-E218 VanDerWaalsContact O-CG 3.31Å; V214-E218 WeakPolarHBondContact O-CG 3.34Å; V214-E218 PolarHBondContact O-N 3.37Å; V214-F259 HydrophobicContact CG1-CD2 4.08Å; V214-F259 HydrophobicContact CG1-CE2 4.12Å; V214-F259 HydrophobicContact CG1-CG 4.31Å; V214-F259 HydrophobicContact CG1-CZ 4.36Å
215A84Confident81.3Confident14 Ų1428.1 Ų28.112%0.11617%0.167CC..Hα-helixtrans-58-47.5176.600000111.5L211 I213 C217 E218 I219 F259 L260L211-A215 WeakPolarHBondContact O-CB 3.34Å; L211-A215 PolarHBondContact O-N 3.43Å; I213-A215 PolarHBondContact O-N 2.87Å; A215-C217 PolarHBondContact O-N 2.85Å; A215-E218 PolarHBondContact O-N 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 WeakPolarHBondContact O-CG1 3.14Å; A215-I219 PolarHBondContact O-N 2.87Å; A215-I219 VanDerWaalsContact O-N 3.12Å; A215-F259 WeakPolarHBondContact CB-O 3.44Å; A215-L260 HydrophobicContact CB-CD2 3.96Å
216K85.5Confident82.5Confident137 Ų13727 Ų2760%0.59616%0.16SC*.Hα-helixtrans-61.6-42.8175.6-73.3177-179.4179.60112.5D212 I213 V214 S220 Q298D212-K216 WeakPolarHBondContact O-CG 3.46Å; D212-K216 PolarHBondContact O-N 2.96Å; D212-K216 VanDerWaalsContact O-N 3.1Å; I213-K216 PolarHBondContact O-N 3.15Å; V214-K216 PolarHBondContact O-N 3.45Å; K216-S220 WeakPolarHBondContact O-CB 3.38Å; K216-S220 PolarHBondContact O-N 3.46Å; K216-S220 VanDerWaalsContact O-N 3.09Å; K216-S220 PolarHBondContact O-OG 3.16Å; K216-Q298 PolarHBondContact O-NE2 3.32Å
217C85.8Confident83.5Confident5 Ų527.1 Ų27.13%0.03416%0.16CC..Hα-helixtrans-64.7-42.1180-66.10000112L186 I213 V214 A215 R221L186-C217 HydrophobicContact CD2-CB 4.25Å; I213-C217 PolarHBondContact O-N 3.45Å; I213-C217 PolarHBondContact O-SG 3.33Å; V214-C217 PolarHBondContact O-N 2.88Å; A215-C217 PolarHBondContact O-N 2.85Å; C217-R221 WeakPolarHBondContact O-CB 3.17Å; C217-R221 PolarHBondContact O-N 3.29Å
218E84.2Confident84.2Confident0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-64.6-47.2179.3-76.1-87-166.400111.5Q190 V214 A215 S220 R221 V222 R245 F259Q190-E218 PolarHBondContact NE2-OE1 3.08Å; V214-E218 HydrophobicContact CG1-CG 4.16Å; V214-E218 WeakPolarHBondContact O-CB 3.44Å; V214-E218 VanDerWaalsContact O-CG 3.31Å; V214-E218 WeakPolarHBondContact O-CG 3.34Å; V214-E218 PolarHBondContact O-N 3.37Å; A215-E218 PolarHBondContact O-N 3.41Å; E218-S220 PolarHBondContact O-N 3.36Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 IonicContact OE1-NH2 2.75Å; E218-R221 PolarHBondContact OE1-NH2 3.19Å; E218-R221 IonicContact OE2-CZ 2.66Å; E218-R221 IonicContact OE2-NE 2.87Å; E218-R221 IonicContact OE2-NH2 3.72Å; E218-R221 PolarHBondContact OE2-NH2 2.95Å; E218-V222 WeakPolarHBondContact O-CG2 3.36Å; E218-V222 PolarHBondContact O-N 3.45Å; E218-R245 IonicContact OE1-NH1 3.22Å; E218-R245 PolarHBondContact OE1-NH1 3.32Å; E218-R245 VanDerWaalsContact OE1-NH1 3.12Å; E218-F259 HydrophobicContact CB-CE2 4.07Å; E218-F259 HydrophobicContact CG-CE2 3.58Å; E218-F259 HydrophobicContact CG-CZ 4.03Å
219I87.7Confident84.3Confident14 Ų1429.5 Ų29.57%0.07216%0.156CC..Hα-helixtrans-58.5-51.4176.4-62.3164.4000110.6A215 R221 V222 L223 L260 V264 L268 L294 Q298A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 WeakPolarHBondContact O-CG1 3.14Å; A215-I219 PolarHBondContact O-N 2.87Å; A215-I219 VanDerWaalsContact O-N 3.12Å; I219-R221 VanDerWaalsContact C-N 3.31Å; I219-R221 PolarHBondContact O-N 3.27Å; I219-V222 PolarHBondContact O-N 3.22Å; I219-L223 HydrophobicContact CG2-CD1 4.2Å; I219-L223 WeakPolarHBondContact O-CG 3.48Å; I219-L223 PolarHBondContact O-N 2.94Å; I219-L223 VanDerWaalsContact O-N 3.14Å; I219-L260 HydrophobicContact CD1-CD2 3.71Å; I219-L260 HydrophobicContact CG1-CD2 3.76Å; I219-V264 HydrophobicContact CD1-CG1 4.24Å; I219-V264 HydrophobicContact CG1-CG1 4.47Å; I219-L268 HydrophobicContact CB-CD1 4.46Å; I219-L268 HydrophobicContact CG1-CD1 3.97Å; I219-L268 HydrophobicContact CG2-CD1 4.41Å; I219-L294 HydrophobicContact CG2-CD2 3.57Å; I219-Q298 HydrophobicContact CG2-CB 4.5Å; I219-Q298 HydrophobicContact CG2-CG 3.99Å
220S87.9Confident84.1Confident12 Ų1228.3 Ų28.38%0.08414%0.144CC..Hα-helixtrans-64-36.8-178.7-63.80000112K216 E218 L223 L224K216-S220 WeakPolarHBondContact O-CB 3.38Å; K216-S220 PolarHBondContact O-N 3.46Å; K216-S220 VanDerWaalsContact O-N 3.09Å; K216-S220 PolarHBondContact O-OG 3.16Å; E218-S220 PolarHBondContact O-N 3.36Å; S220-L223 PolarHBondContact O-N 3.14Å; S220-L224 WeakPolarHBondContact O-CB 3.42Å; S220-L224 VanDerWaalsContact O-CG 3.27Å; S220-L224 WeakPolarHBondContact O-CG 3.42Å; S220-L224 PolarHBondContact O-N 3.07Å
221R86.8Confident83.7Confident2 Ų231.1 Ų31.11%0.00816%0.164CC..Hα-helixtrans-67.4-43.6177.3-178170.964.2-167.7-11.9112.2L183 C217 E218 I219 L223 L224 L225L183-R221 HydrophobicContact CD2-CB 4.48Å; L183-R221 HydrophobicContact CD2-CG 3.84Å; C217-R221 WeakPolarHBondContact O-CB 3.17Å; C217-R221 PolarHBondContact O-N 3.29Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 IonicContact OE1-NH2 2.75Å; E218-R221 PolarHBondContact OE1-NH2 3.19Å; E218-R221 IonicContact OE2-CZ 2.66Å; E218-R221 IonicContact OE2-NE 2.87Å; E218-R221 IonicContact OE2-NH2 3.72Å; E218-R221 PolarHBondContact OE2-NH2 2.95Å; I219-R221 VanDerWaalsContact C-N 3.31Å; I219-R221 PolarHBondContact O-N 3.27Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3Å; R221-L224 PolarHBondContact O-N 3.11Å; R221-L225 HydrophobicContact CG-CD1 3.93Å; R221-L225 HydrophobicContact CG-CG 4.23Å; R221-L225 WeakPolarHBondContact O-CB 3.2Å; R221-L225 VanDerWaalsContact O-CG 3.26Å; R221-L225 WeakPolarHBondContact O-CG 3.39Å; R221-L225 PolarHBondContact O-N 2.74Å
222V86.6Confident83Confident1 Ų134.3 Ų34.31%0.00619%0.188CC..Hα-helixtrans-58.8-47176.1171.60000110.1E218 I219 L224 L225 M226 Y246 V272E218-V222 WeakPolarHBondContact O-CG2 3.36Å; E218-V222 PolarHBondContact O-N 3.45Å; I219-V222 PolarHBondContact O-N 3.22Å; V222-L224 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 3.02Å; V222-M226 WeakPolarHBondContact O-CG 3.29Å; V222-M226 PolarHBondContact O-N 2.92Å; V222-Y246 HydrophobicContact CG2-CD2 3.68Å; V222-Y246 HydrophobicContact CG2-CE2 3.44Å; V222-Y246 VanDerWaalsContact CG2-CE2 3.44Å; V222-Y246 HydrophobicContact CG2-CG 4.49Å; V222-V272 HydrophobicContact CG1-CG2 3.65Å
223L86.4Confident82.1Confident0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-62.3-41.8178.2-65.3173.9000112.4I219 S220 R221 M226 L227 L268 Q298 L301 L302 V305I219-L223 HydrophobicContact CG2-CD1 4.2Å; I219-L223 WeakPolarHBondContact O-CG 3.48Å; I219-L223 PolarHBondContact O-N 2.94Å; I219-L223 VanDerWaalsContact O-N 3.14Å; S220-L223 PolarHBondContact O-N 3.14Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3Å; L223-M226 PolarHBondContact O-N 3.41Å; L223-L227 PolarHBondContact O-N 3.21Å; L223-L268 HydrophobicContact CD2-CD2 4.46Å; L223-Q298 HydrophobicContact CD1-CB 4.02Å; L223-Q298 HydrophobicContact CD1-CG 4.45Å; L223-Q298 WeakPolarHBondContact CD1-O 3.33Å; L223-L301 HydrophobicContact CB-CB 4.07Å; L223-L301 HydrophobicContact CB-CD1 4.39Å; L223-L301 HydrophobicContact CD1-CB 4.19Å; L223-L302 HydrophobicContact CD2-CB 4.27Å; L223-L302 HydrophobicContact CD2-CD1 3.95Å; L223-V305 WeakPolarHBondContact O-CG2 3.28Å
224L86.6Confident81.6Confident0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-67.3-39176.8-75.6168.5000112.8Y179 A182 L183 L186 S220 R221 V222 M226 L227 L228 L301Y179-L224 HydrophobicContact CD1-CD2 3.75Å; Y179-L224 HydrophobicContact CG-CD2 4.2Å; A182-L224 HydrophobicContact CB-CD1 4.09Å; L183-L224 HydrophobicContact CD2-CB 3.45Å; L183-L224 VanDerWaalsContact CD2-CB 3.45Å; L183-L224 HydrophobicContact CD2-CD1 3.89Å; L183-L224 HydrophobicContact CD2-CG 4.33Å; L183-L224 HydrophobicContact CG-CB 3.89Å; L183-L224 HydrophobicContact CG-CD1 4.15Å; L186-L224 HydrophobicContact CD1-CD1 3.57Å; S220-L224 WeakPolarHBondContact O-CB 3.42Å; S220-L224 VanDerWaalsContact O-CG 3.27Å; S220-L224 WeakPolarHBondContact O-CG 3.42Å; S220-L224 PolarHBondContact O-N 3.07Å; R221-L224 PolarHBondContact O-N 3.11Å; V222-L224 PolarHBondContact O-N 3.48Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 3.36Å; L224-L227 WeakPolarHBondContact O-CB 3.19Å; L224-L227 PolarHBondContact O-N 3.48Å; L224-L228 WeakPolarHBondContact O-CB 3.43Å; L224-L228 PolarHBondContact O-N 3.35Å; L224-L301 HydrophobicContact CD2-CD1 4.28Å; L224-L301 HydrophobicContact CD2-CD2 3.66Å; L224-L301 HydrophobicContact CG-CD1 4.05Å; L224-L301 HydrophobicContact CG-CD2 4.31Å
225L85.9Confident81.1Confident4 Ų447.4 Ų47.42%0.02124%0.243CC..Hα-helixtrans-64.7-36174.6-71.5172000111.3L183 R221 V222 L227 E229 P230 H239 T242 L243L183-L225 HydrophobicContact CD1-CD2 4.1Å; L183-L225 HydrophobicContact CD2-CD2 4.4Å; L183-L225 HydrophobicContact CD2-CG 4.3Å; R221-L225 HydrophobicContact CG-CD1 3.93Å; R221-L225 HydrophobicContact CG-CG 4.23Å; R221-L225 WeakPolarHBondContact O-CB 3.2Å; R221-L225 VanDerWaalsContact O-CG 3.26Å; R221-L225 WeakPolarHBondContact O-CG 3.39Å; R221-L225 PolarHBondContact O-N 2.74Å; V222-L225 PolarHBondContact O-N 3.02Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-E229 PolarHBondContact O-N 2.87Å; L225-P230 HydrophobicContact CD2-CG 4.08Å; L225-H239 HydrophobicContact CD1-CB 4.15Å; L225-H239 HydrophobicContact CD2-CB 3.95Å; L225-T242 WeakPolarHBondContact CD1-OG1 3.34Å; L225-L243 HydrophobicContact CB-CD2 4.2Å; L225-L243 HydrophobicContact CD1-CD2 4.17Å; L225-L243 HydrophobicContact CD1-CG 4.07Å
226M84.8Confident80.7Confident10 Ų1051 Ų515%0.04926%0.26CS..Hα-helixtrans-72.1-26.6175.3-68.2-46.8-27.400114.3V222 L223 L224 V272 C275 V305 R309V222-M226 WeakPolarHBondContact O-CG 3.29Å; V222-M226 PolarHBondContact O-N 2.92Å; L223-M226 PolarHBondContact O-N 3.41Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 3.36Å; M226-V272 HydrophobicContact CG-CG2 4.21Å; M226-V272 HydrophobicContact SD-CB 4.25Å; M226-V272 HydrophobicContact SD-CG1 4.05Å; M226-V272 HydrophobicContact SD-CG2 3.97Å; M226-C275 HydrophobicContact CE-CB 3.19Å; M226-C275 HydrophobicContact SD-CB 4.15Å; M226-V305 HydrophobicContact CB-CG1 4.22Å; M226-V305 HydrophobicContact CB-CG2 4.46Å; M226-R309 PolarHBondContact O-NH2 2.68Å
227L84.3Confident80.3Confident12 Ų1248.8 Ų48.86%0.06326%0.26CS..Hα-helixtrans-74-52.5172.6-171.969.7000111.1Y179 L223 L224 L225 L304 V305 E308Y179-L227 HydrophobicContact CD1-CD2 4Å; Y179-L227 HydrophobicContact CD2-CD2 3.82Å; Y179-L227 HydrophobicContact CE1-CD2 3.98Å; Y179-L227 HydrophobicContact CE2-CD2 3.79Å; Y179-L227 HydrophobicContact CG-CD2 3.93Å; L223-L227 PolarHBondContact O-N 3.21Å; L224-L227 WeakPolarHBondContact O-CB 3.19Å; L224-L227 PolarHBondContact O-N 3.48Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L227-L304 HydrophobicContact CD1-CB 3.94Å; L227-V305 HydrophobicContact CB-CG2 3.98Å; L227-V305 HydrophobicContact CD1-CG2 4.18Å; L227-E308 HydrophobicContact CD1-CG 3.93Å; L227-E308 VanDerWaalsContact CD1-OE2 3.24Å; L227-E308 WeakPolarHBondContact CD1-OE2 3.35Å
228L83.1Confident79.8Confident55 Ų5550.9 Ų50.929%0.28827%0.269SS..Hα-helixtrans-79.1-27.1-170.1-77.1163.8000114.3L183 L224 P230L183-L228 HydrophobicContact CD1-CD1 3.37Å; L183-L228 HydrophobicContact CG-CD1 4.11Å; L224-L228 WeakPolarHBondContact O-CB 3.43Å; L224-L228 PolarHBondContact O-N 3.35Å; L228-P230 VanDerWaalsContact C-N 3.33Å
229E79.4Confident79.6Confident107 Ų10751.5 Ų51.550%0.527%0.272SS..  trans38.357.7-171.9-63.2-163.9134.500113.2L225 R309L225-E229 PolarHBondContact O-N 2.87Å; E229-R309 IonicContact OE1-CZ 3.12Å; E229-R309 IonicContact OE1-NH1 2.77Å; E229-R309 PolarHBondContact OE1-NH1 3.09Å; E229-R309 IonicContact OE1-NH2 2.63Å; E229-R309 PolarHBondContact OE1-NH2 3.09Å; E229-R309 IonicContact OE2-CZ 3.82Å; E229-R309 IonicContact OE2-NH1 3.09Å; E229-R309 PolarHBondContact OE2-NH1 3.38Å; E229-R309 VanDerWaalsContact OE2-NH1 3.09Å; E229-R309 IonicContact OE2-NH2 3.79Å
230P75.4Confident79Confident28 Ų2852.1 Ų52.118%0.18228%0.28CS..  trans-61.2137.2-172.524.7-33.1000110.4L225 L228 L235L225-P230 HydrophobicContact CD2-CG 4.08Å; L228-P230 VanDerWaalsContact C-N 3.33Å; P230-L235 HydrophobicContact CG-CD1 4.32Å
231P70.7Confident78.6Confident72 Ų7256.1 Ų56.147%0.46830%0.297SS..  trans-60.7149.7176.126-34000109.9Q233 K234P231-Q233 PolarHBondContact O-N 3.27Å; P231-K234 HydrophobicContact CG-CD 4.32Å; P231-K234 HydrophobicContact CG-CG 4.38Å; P231-K234 PolarHBondContact O-N 3.42Å
232P66.3Low78.2Confident117 Ų11756.1 Ų56.176%0.7630%0.297SS*.THydrogen-bonded Turntrans-58.8-19.1-171.222.8-34.6000114.1
233Q65.1Low77.8Confident193 Ų19358 Ų5890%0.90231%0.307SS*.THydrogen-bonded Turntrans-74.2-25176.9-64179.2-300114.1P231P231-Q233 PolarHBondContact O-N 3.27Å
234K71.7Confident77.4Confident166 Ų16664.1 Ų64.172%0.72234%0.335SS*.SBendtrans-1001.2179-69.2-173.8176.3-176.40112.7P231 L236P231-K234 HydrophobicContact CG-CD 4.32Å; P231-K234 HydrophobicContact CG-CG 4.38Å; P231-K234 PolarHBondContact O-N 3.42Å; K234-L236 PolarHBondContact O-N 3.07Å
235L74.4Confident76.9Confident46 Ų4667.6 Ų67.624%0.24135%0.348CS..  trans-86.3107.7-170.6-153152000108.8P230 H239 A240 L243P230-L235 HydrophobicContact CG-CD1 4.32Å; L235-H239 HydrophobicContact CD2-CB 3.65Å; L235-H239 HydrophobicContact CG-CB 4.06Å; L235-A240 HydrophobicContact CD2-CB 3.51Å; L235-L243 HydrophobicContact CD1-CD1 4.12Å
236L76.8Confident76.4Confident90 Ų9067.5 Ų67.547%0.47135%0.348SS..  trans-60147.3174.5-67.3170.9000110.1K234 E238 H239 A240K234-L236 PolarHBondContact O-N 3.07Å; L236-E238 PolarHBondContact O-N 2.99Å; L236-E238 VanDerWaalsContact O-N 3.07Å; L236-H239 WeakPolarHBondContact O-CA 3.4Å; L236-H239 WeakPolarHBondContact O-CB 3.44Å; L236-H239 PolarHBondContact O-N 3.24Å; L236-A240 PolarHBondContact O-N 3.33Å; L236-A240 VanDerWaalsContact O-N 3.16Å
237P75.6Confident75.7Confident91 Ų9168.2 Ų68.259%0.59136%0.355SS*.Hα-helixtrans-56.9-30.6-177.522.6-33.9000112.9A240 Q241P237-A240 WeakPolarHBondContact O-CB 3.32Å; P237-A240 PolarHBondContact O-N 3.25Å; P237-Q241 WeakPolarHBondContact O-CG 3.42Å; P237-Q241 PolarHBondContact O-N 3.28Å
238E76.9Confident74.4Confident49 Ų4976.6 Ų76.623%0.22939%0.386CS..Hα-helixtrans-64.9-39.9174.5-65.7176.2-162.400112.6T187 L191 L236 A240 T242T187-E238 WeakPolarHBondContact CB-OE2 3.48Å; T187-E238 WeakPolarHBondContact CG2-OE2 3.26Å; L191-E238 WeakPolarHBondContact CD1-OE1 3.37Å; L191-E238 WeakPolarHBondContact CD2-OE1 3.31Å; L236-E238 PolarHBondContact O-N 2.99Å; L236-E238 VanDerWaalsContact O-N 3.07Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-T242 WeakPolarHBondContact O-CG2 3.37Å; E238-T242 PolarHBondContact O-N 3.38Å; E238-T242 VanDerWaalsContact O-N 3.11Å; E238-T242 PolarHBondContact O-OG1 3.21Å
239H79.4Confident72.8Confident12 Ų1283 Ų836%0.05642%0.415CS..Hα-helixtrans-66-37.9175.4-59.4-39.2000110.8T187 L225 L235 L236 T242 L243T187-H239 WeakPolarHBondContact CG2-CE1 3.46Å; L225-H239 HydrophobicContact CD1-CB 4.15Å; L225-H239 HydrophobicContact CD2-CB 3.95Å; L235-H239 HydrophobicContact CD2-CB 3.65Å; L235-H239 HydrophobicContact CG-CB 4.06Å; L236-H239 WeakPolarHBondContact O-CA 3.4Å; L236-H239 WeakPolarHBondContact O-CB 3.44Å; L236-H239 PolarHBondContact O-N 3.24Å; H239-T242 WeakPolarHBondContact CA-OG1 3.29Å; H239-T242 PolarHBondContact O-N 3.38Å; H239-T242 PolarHBondContact O-OG1 3.17Å; H239-L243 PolarHBondContact O-N 3.26Å
240A75.5Confident71.5Confident28 Ų2879 Ų7923%0.23140%0.398CS..Hα-helixtrans-63.5-50.3179.100000110.1L235 L236 P237 E238 T242 L243 E244L235-A240 HydrophobicContact CD2-CB 3.51Å; L236-A240 PolarHBondContact O-N 3.33Å; L236-A240 VanDerWaalsContact O-N 3.16Å; P237-A240 WeakPolarHBondContact O-CB 3.32Å; P237-A240 PolarHBondContact O-N 3.25Å; E238-A240 VanDerWaalsContact C-N 3.31Å; A240-T242 PolarHBondContact O-N 2.69Å; A240-L243 PolarHBondContact O-N 2.96Å; A240-L243 VanDerWaalsContact O-N 3.15Å; A240-E244 WeakPolarHBondContact O-CG 3.38Å; A240-E244 PolarHBondContact O-N 3.29Å
241Q78.1Confident70.2Confident96 Ų9685.9 Ų85.945%0.44943%0.426SS..Hα-helixtrans-57.2-35.1176.8-71.9175.918.600112.2P237 R245P237-Q241 WeakPolarHBondContact O-CG 3.42Å; P237-Q241 PolarHBondContact O-N 3.28Å; Q241-R245 VanDerWaalsContact O-CG 3.24Å; Q241-R245 WeakPolarHBondContact O-CG 3.37Å; Q241-R245 PolarHBondContact O-N 2.82Å
242T78.6Confident69Low1 Ų187.4 Ų87.41%0.00643%0.43CS..Hα-helixtrans-71.6-45178.859.10000111.7L225 E238 H239 A240 E244 R245 Y246L225-T242 WeakPolarHBondContact CD1-OG1 3.34Å; E238-T242 WeakPolarHBondContact O-CG2 3.37Å; E238-T242 PolarHBondContact O-N 3.38Å; E238-T242 VanDerWaalsContact O-N 3.11Å; E238-T242 PolarHBondContact O-OG1 3.21Å; H239-T242 WeakPolarHBondContact CA-OG1 3.29Å; H239-T242 PolarHBondContact O-N 3.38Å; H239-T242 PolarHBondContact O-OG1 3.17Å; A240-T242 PolarHBondContact O-N 2.69Å; T242-E244 VanDerWaalsContact C-N 3.32Å; T242-E244 PolarHBondContact O-N 3.47Å; T242-R245 PolarHBondContact O-N 3.37Å; T242-Y246 WeakPolarHBondContact O-CD2 3.35Å; T242-Y246 PolarHBondContact O-N 3.38Å
243L77.9Confident68Low40 Ų4086.3 Ų86.321%0.20942%0.423CS..Hα-helixtrans-63-40.6176.4-69173.7000111.4L225 L235 H239 A240 R245 Y246 A247L225-L243 HydrophobicContact CB-CD2 4.2Å; L225-L243 HydrophobicContact CD1-CD2 4.17Å; L225-L243 HydrophobicContact CD1-CG 4.07Å; L235-L243 HydrophobicContact CD1-CD1 4.12Å; H239-L243 PolarHBondContact O-N 3.26Å; A240-L243 PolarHBondContact O-N 2.96Å; A240-L243 VanDerWaalsContact O-N 3.15Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.1Å; L243-Y246 CarbonylContact O-C 3.6Å; L243-Y246 PolarHBondContact O-N 2.93Å; L243-Y246 VanDerWaalsContact O-N 3.09Å; L243-A247 VanDerWaalsContact O-CB 3.23Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.94Å
244E78.1Confident67Low130 Ų13085.3 Ų85.361%0.60742%0.418SS*.Hα-helixtrans-58.6-39.4175.9-74.3171.5-172.400112.4A240 T242 Y246 A247 S250A240-E244 WeakPolarHBondContact O-CG 3.38Å; A240-E244 PolarHBondContact O-N 3.29Å; T242-E244 VanDerWaalsContact C-N 3.32Å; T242-E244 PolarHBondContact O-N 3.47Å; E244-Y246 VanDerWaalsContact C-N 3.26Å; E244-Y246 PolarHBondContact O-N 3.26Å; E244-A247 PolarHBondContact O-N 3.09Å; E244-S250 PolarHBondContact O-OG 2.9Å
245R76.2Confident65.8Low72 Ų7279.3 Ų79.327%0.27240%0.397SS..Hα-helixtrans-66.1-25.5176.3-71.3172.8-148156.33.8113.9E218 Q241 T242 L243 S250E218-R245 IonicContact OE1-NH1 3.22Å; E218-R245 PolarHBondContact OE1-NH1 3.32Å; E218-R245 VanDerWaalsContact OE1-NH1 3.12Å; Q241-R245 VanDerWaalsContact O-CG 3.24Å; Q241-R245 WeakPolarHBondContact O-CG 3.37Å; Q241-R245 PolarHBondContact O-N 2.82Å; T242-R245 PolarHBondContact O-N 3.37Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.1Å; R245-S250 PolarHBondContact O-OG 3.33Å; R245-S250 VanDerWaalsContact O-OG 3.07Å
246Y75.8Confident64.6Low3 Ų382.9 Ų82.91%0.01241%0.412CS..Hα-helixtrans-103.7-1.9177.5-65.4-83000112.6V222 T242 L243 E244 L260 F265 L268 Q269V222-Y246 HydrophobicContact CG2-CD2 3.68Å; V222-Y246 HydrophobicContact CG2-CE2 3.44Å; V222-Y246 VanDerWaalsContact CG2-CE2 3.44Å; V222-Y246 HydrophobicContact CG2-CG 4.49Å; T242-Y246 WeakPolarHBondContact O-CD2 3.35Å; T242-Y246 PolarHBondContact O-N 3.38Å; L243-Y246 CarbonylContact O-C 3.6Å; L243-Y246 PolarHBondContact O-N 2.93Å; L243-Y246 VanDerWaalsContact O-N 3.09Å; E244-Y246 VanDerWaalsContact C-N 3.26Å; E244-Y246 PolarHBondContact O-N 3.26Å; Y246-L260 VanDerWaalsContact OH-CD1 3.22Å; Y246-L260 WeakPolarHBondContact OH-CD1 3.47Å; Y246-F265 HydrophobicContact CD1-CD2 4.25Å; Y246-F265 AromaticContact CD1-CE2 3.95Å; Y246-F265 HydrophobicContact CD1-CE2 3.95Å; Y246-F265 AromaticContact CE1-CD2 3.43Å; Y246-F265 HydrophobicContact CE1-CD2 3.43Å; Y246-F265 VanDerWaalsContact CE1-CD2 3.43Å; Y246-F265 AromaticContact CE1-CE2 3.46Å; Y246-F265 HydrophobicContact CE1-CE2 3.46Å; Y246-F265 VanDerWaalsContact CE1-CE2 3.46Å; Y246-F265 HydrophobicContact CE1-CG 4.43Å; Y246-F265 HydrophobicContact CE1-CZ 4.49Å; Y246-F265 AromaticContact CZ-CD2 3.99Å; Y246-F265 AromaticContact CZ-CE2 3.94Å; Y246-L268 HydrophobicContact CD1-CB 4.23Å; Y246-L268 HydrophobicContact CE1-CB 3.99Å; Y246-L268 HydrophobicContact CE1-CD1 4.49Å; Y246-Q269 HydrophobicContact CD1-CG 3.66Å; Y246-Q269 HydrophobicContact CE1-CG 4.5Å; Y246-Q269 HydrophobicContact CG-CG 4.47Å
247A70.7Confident63.6Low25 Ų2579.4 Ų79.421%0.20740%0.395CS..SBendtrans-87.3156.8179.400000112.2L243 E244 E249 S250L243-A247 VanDerWaalsContact O-CB 3.23Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.94Å; E244-A247 PolarHBondContact O-N 3.09Å; A247-E249 PolarHBondContact O-N 3.49Å; A247-S250 PolarHBondContact O-N 3.14Å; A247-S250 VanDerWaalsContact O-N 3.14Å; A247-S250 PolarHBondContact O-OG 2.9Å
248W55.8Low62.7Low187 Ų18780.3 Ų80.371%0.70840%0.399SS*.THydrogen-bonded Turntrans-49.3-23.5-172.7-16239.4000116.2F251 M273W248-F251 AromaticContact CD1-CE2 3.86Å; W248-F251 WeakPolarHBondContact O-CD2 3.49Å; W248-F251 WeakPolarHBondContact O-CE2 3.48Å; W248-M273 HydrophobicContact CB-CE 3.99Å; W248-M273 HydrophobicContact CB-SD 3.96Å; W248-M273 HydrophobicContact CG-CE 3.91Å; W248-M273 HydrophobicContact CG-SD 4.46Å
249E51.3Low62.2Low189 Ų18979.5 Ų79.588%0.88340%0.395SS*.THydrogen-bonded Turntrans-85.6-5.5-175.4-63.5-176.4165.900114.2A247 F251A247-E249 PolarHBondContact O-N 3.49Å; E249-F251 PolarHBondContact O-N 3.02Å
250S50.6Low61.8Low23 Ų2379.8 Ų79.816%0.16140%0.397CS..  trans-99.335.1-173.363.40000114.7E244 R245 A247 D252 S255E244-S250 PolarHBondContact O-OG 2.9Å; R245-S250 PolarHBondContact O-OG 3.33Å; R245-S250 VanDerWaalsContact O-OG 3.07Å; A247-S250 PolarHBondContact O-N 3.14Å; A247-S250 VanDerWaalsContact O-N 3.14Å; A247-S250 PolarHBondContact O-OG 2.9Å; S250-D252 PolarHBondContact O-N 3.43Å; S250-S255 PolarHBondContact O-OG 2.99Å
251F49.2Very low62Low173 Ų17382.1 Ų82.176%0.75941%0.41SS*.  trans-68.230.9170.4-81-81.6000113.7W248 E249 P253W248-F251 AromaticContact CD1-CE2 3.86Å; W248-F251 WeakPolarHBondContact O-CD2 3.49Å; W248-F251 WeakPolarHBondContact O-CE2 3.48Å; E249-F251 PolarHBondContact O-N 3.02Å; F251-P253 WeakPolarHBondContact O-CD 3.49Å
252D45.2Very low62Low104 Ų10483.6 Ų83.656%0.55642%0.417SS*.  trans-86.4117.2175.6-126.5-25.1000108.6S250 H254 S255S250-D252 PolarHBondContact O-N 3.43Å; D252-H254 PolarHBondContact O-N 3.49Å; D252-S255 WeakPolarHBondContact O-CB 3.32Å; D252-S255 PolarHBondContact O-N 3.13Å; D252-S255 PolarHBondContact O-OG 2.97Å
253P45.9Very low62.2Low95 Ų9589 Ų8962%0.61745%0.445SS*.THydrogen-bonded Turntrans-62.6-5.5176.722.7-31000113.6F251F251-P253 WeakPolarHBondContact O-CD 3.49Å
254H42.7Very low62.4Low172 Ų17287.4 Ų87.480%0.79644%0.437SS*.THydrogen-bonded Turntrans-96.3-4.7173-59.288.1000113.6D252 Q256D252-H254 PolarHBondContact O-N 3.49Å; H254-Q256 PolarHBondContact O-N 3.21Å
255S47.5Very low62.6Low40 Ų4082.4 Ų82.428%0.2841%0.413SS..  trans-849.8172.978.70000112.7S250 D252 V257S250-S255 PolarHBondContact O-OG 2.99Å; D252-S255 WeakPolarHBondContact O-CB 3.32Å; D252-S255 PolarHBondContact O-N 3.13Å; D252-S255 PolarHBondContact O-OG 2.97Å; S255-V257 PolarHBondContact O-N 3.42Å
256Q49.5Very low63Low120 Ų12083.9 Ų83.956%0.56143%0.426SS*.  trans-57.3111.3179.2-76.6-169.4-16.800110.2H254 T258H254-Q256 PolarHBondContact O-N 3.21Å; Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 2.93Å; Q256-T258 PolarHBondContact O-OG1 3.5Å
257V54.3Low63.4Low17 Ų1785.1 Ų85.110%0.10343%0.433CS..  trans-62.596.7168.7171.10000108S255 F259 L260 F265S255-V257 PolarHBondContact O-N 3.42Å; V257-F259 HydrophobicContact CB-CE1 4.46Å; V257-F259 HydrophobicContact CB-CE2 4.41Å; V257-F259 HydrophobicContact CB-CZ 4.28Å; V257-F259 HydrophobicContact CG1-CD1 3.67Å; V257-F259 HydrophobicContact CG1-CD2 3.24Å; V257-F259 HydrophobicContact CG1-CE1 3.5Å; V257-F259 HydrophobicContact CG1-CE2 3.01Å; V257-F259 HydrophobicContact CG1-CG 3.55Å; V257-F259 HydrophobicContact CG1-CZ 3.17Å; V257-F259 HydrophobicContact CG2-CZ 4.29Å; V257-F259 PolarHBondContact O-N 2.8Å; V257-L260 HydrophobicContact CG1-CB 3.99Å; V257-L260 HydrophobicContact CG1-CD1 3.83Å; V257-L260 HydrophobicContact CG1-CG 4.05Å; V257-L260 PolarHBondContact O-N 2.97Å; V257-F265 HydrophobicContact CB-CD2 4.08Å; V257-F265 HydrophobicContact CB-CE2 4.13Å; V257-F265 HydrophobicContact CG2-CD2 4.04Å; V257-F265 HydrophobicContact CG2-CE2 3.62Å; V257-F265 HydrophobicContact CG2-CZ 4.44Å
258T58.2Low64.1Low111 Ų11183.9 Ų83.968%0.68142%0.423SS*.THydrogen-bonded Turntrans-64.8-10-174.7-28.80000113.1Q256Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 2.93Å; Q256-T258 PolarHBondContact O-OG1 3.5Å
259F66.4Low65.4Low32 Ų3276.9 Ų76.914%0.1440%0.398CS..THydrogen-bonded Turntrans-99.2-5.9-175.952.4-100.4000114.5L211 V214 A215 E218 V257L211-F259 HydrophobicContact CD1-CB 3.34Å; L211-F259 HydrophobicContact CG-CB 3.82Å; V214-F259 HydrophobicContact CG1-CD2 4.08Å; V214-F259 HydrophobicContact CG1-CE2 4.12Å; V214-F259 HydrophobicContact CG1-CG 4.31Å; V214-F259 HydrophobicContact CG1-CZ 4.36Å; A215-F259 WeakPolarHBondContact CB-O 3.44Å; E218-F259 HydrophobicContact CB-CE2 4.07Å; E218-F259 HydrophobicContact CG-CE2 3.58Å; E218-F259 HydrophobicContact CG-CZ 4.03Å; V257-F259 HydrophobicContact CB-CE1 4.46Å; V257-F259 HydrophobicContact CB-CE2 4.41Å; V257-F259 HydrophobicContact CB-CZ 4.28Å; V257-F259 HydrophobicContact CG1-CD1 3.67Å; V257-F259 HydrophobicContact CG1-CD2 3.24Å; V257-F259 HydrophobicContact CG1-CE1 3.5Å; V257-F259 HydrophobicContact CG1-CE2 3.01Å; V257-F259 HydrophobicContact CG1-CG 3.55Å; V257-F259 HydrophobicContact CG1-CZ 3.17Å; V257-F259 HydrophobicContact CG2-CZ 4.29Å; V257-F259 PolarHBondContact O-N 2.8Å
260L71.3Confident67Low17 Ų1769.8 Ų69.89%0.08937%0.369CS..SBendtrans-116.8147.3177-77.2163.2000111.6A215 I219 Y246 V257 E262 V264A215-L260 HydrophobicContact CB-CD2 3.96Å; I219-L260 HydrophobicContact CD1-CD2 3.71Å; I219-L260 HydrophobicContact CG1-CD2 3.76Å; Y246-L260 VanDerWaalsContact OH-CD1 3.22Å; Y246-L260 WeakPolarHBondContact OH-CD1 3.47Å; V257-L260 HydrophobicContact CG1-CB 3.99Å; V257-L260 HydrophobicContact CG1-CD1 3.83Å; V257-L260 HydrophobicContact CG1-CG 4.05Å; V257-L260 PolarHBondContact O-N 2.97Å; L260-E262 PolarHBondContact O-N 3.2Å; L260-V264 HydrophobicContact CD2-CG1 4.41Å
261P78.3Confident68.6Low78 Ų7868.7 Ų68.751%0.50636%0.362SS..  trans-61.8136.2168.3-8.320.3000109.8N263 V264 F265P261-N263 PolarHBondContact O-N 3.02Å; P261-N263 VanDerWaalsContact O-N 3.13Å; P261-V264 HydrophobicContact CB-CB 4.49Å; P261-V264 HydrophobicContact CB-CG2 4.14Å; P261-V264 HydrophobicContact CG-CB 4.32Å; P261-V264 HydrophobicContact CG-CG2 3.85Å; P261-V264 PolarHBondContact O-N 3.4Å; P261-F265 PolarHBondContact O-N 2.92Å
262E78.4Confident70.4Confident127 Ų12760.5 Ų60.559%0.59333%0.326SS*.Hα-helixtrans-51.9-40.2-178.6-65.4-177.1162.300112.3L260 V264 F265 L266L260-E262 PolarHBondContact O-N 3.2Å; E262-V264 PolarHBondContact O-N 3.25Å; E262-F265 PolarHBondContact O-N 2.91Å; E262-L266 WeakPolarHBondContact O-CG 2.97Å; E262-L266 PolarHBondContact O-N 3.32Å
263N82.1Confident72.2Confident113 Ų11357.3 Ų57.360%0.60431%0.308SS*.Hα-helixtrans-60.9-43.9177.9-62.8-16000112.6P261 L267P261-N263 PolarHBondContact O-N 3.02Å; P261-N263 VanDerWaalsContact O-N 3.13Å; N263-L267 WeakPolarHBondContact O-CB 3.38Å; N263-L267 VanDerWaalsContact O-CG 3.26Å; N263-L267 WeakPolarHBondContact O-CG 3.28Å; N263-L267 PolarHBondContact O-N 3.32Å; N263-L267 VanDerWaalsContact O-N 3.11Å
264V82.4Confident74Confident7 Ų753.1 Ų53.14%0.04228%0.281CS..Hα-helixtrans-69.9-40.1-179.9178.70000110I219 L260 P261 E262 L267 L268 L293I219-V264 HydrophobicContact CD1-CG1 4.24Å; I219-V264 HydrophobicContact CG1-CG1 4.47Å; L260-V264 HydrophobicContact CD2-CG1 4.41Å; P261-V264 HydrophobicContact CB-CB 4.49Å; P261-V264 HydrophobicContact CB-CG2 4.14Å; P261-V264 HydrophobicContact CG-CB 4.32Å; P261-V264 HydrophobicContact CG-CG2 3.85Å; P261-V264 PolarHBondContact O-N 3.4Å; E262-V264 PolarHBondContact O-N 3.25Å; V264-L267 PolarHBondContact O-N 2.93Å; V264-L268 HydrophobicContact CG1-CD1 3.93Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.47Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.48Å; V264-L268 PolarHBondContact O-N 2.91Å; V264-L293 HydrophobicContact CG2-CB 4.15Å; V264-L293 HydrophobicContact CG2-CD1 4.19Å; V264-L293 HydrophobicContact CG2-CD2 4.46Å
265F83.8Confident75.9Confident25 Ų2545 Ų4511%0.1124%0.244CC..Hα-helixtrans-60.9-49.1177.7179.2-100.3000112Y246 V257 P261 E262 L267 L268 Q269Y246-F265 HydrophobicContact CD1-CD2 4.25Å; Y246-F265 AromaticContact CD1-CE2 3.95Å; Y246-F265 HydrophobicContact CD1-CE2 3.95Å; Y246-F265 AromaticContact CE1-CD2 3.43Å; Y246-F265 HydrophobicContact CE1-CD2 3.43Å; Y246-F265 VanDerWaalsContact CE1-CD2 3.43Å; Y246-F265 AromaticContact CE1-CE2 3.46Å; Y246-F265 HydrophobicContact CE1-CE2 3.46Å; Y246-F265 VanDerWaalsContact CE1-CE2 3.46Å; Y246-F265 HydrophobicContact CE1-CG 4.43Å; Y246-F265 HydrophobicContact CE1-CZ 4.49Å; Y246-F265 AromaticContact CZ-CD2 3.99Å; Y246-F265 AromaticContact CZ-CE2 3.94Å; V257-F265 HydrophobicContact CB-CD2 4.08Å; V257-F265 HydrophobicContact CB-CE2 4.13Å; V257-F265 HydrophobicContact CG2-CD2 4.04Å; V257-F265 HydrophobicContact CG2-CE2 3.62Å; V257-F265 HydrophobicContact CG2-CZ 4.44Å; P261-F265 PolarHBondContact O-N 2.92Å; E262-F265 PolarHBondContact O-N 2.91Å; F265-L267 PolarHBondContact O-N 3.37Å; F265-L268 PolarHBondContact O-N 3.2Å; F265-Q269 HydrophobicContact CE1-CG 4.14Å; F265-Q269 HydrophobicContact CZ-CG 4.18Å; F265-Q269 WeakPolarHBondContact O-CG 3.28Å; F265-Q269 PolarHBondContact O-N 3.05Å
266L83.8Confident77.6Confident103 Ų10347.7 Ų47.754%0.53925%0.252SS..Hα-helixtrans-62.8-42.7178.3-70.5172.6000112.3E262 Q269 S270E262-L266 WeakPolarHBondContact O-CG 2.97Å; E262-L266 PolarHBondContact O-N 3.32Å; L266-Q269 PolarHBondContact O-N 3.33Å; L266-S270 PolarHBondContact O-N 3.09Å
267L84.6Confident79.2Confident29 Ų2948.5 Ų48.515%0.15226%0.256CS..Hα-helixtrans-65-39.9176.7-70.8170.9000111.5N263 V264 F265 S270 V271 L286 L290 L293N263-L267 WeakPolarHBondContact O-CB 3.38Å; N263-L267 VanDerWaalsContact O-CG 3.26Å; N263-L267 WeakPolarHBondContact O-CG 3.28Å; N263-L267 PolarHBondContact O-N 3.32Å; N263-L267 VanDerWaalsContact O-N 3.11Å; V264-L267 PolarHBondContact O-N 2.93Å; F265-L267 PolarHBondContact O-N 3.37Å; L267-S270 WeakPolarHBondContact CA-OG 3.34Å; L267-S270 PolarHBondContact O-N 3.36Å; L267-S270 PolarHBondContact O-OG 3.38Å; L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 2.86Å; L267-L286 HydrophobicContact CD2-CD2 3.94Å; L267-L290 HydrophobicContact CB-CD1 4.45Å; L267-L290 HydrophobicContact CB-CD2 3.57Å; L267-L290 HydrophobicContact CB-CG 4.02Å; L267-L290 HydrophobicContact CD1-CD2 3.94Å; L267-L290 HydrophobicContact CD1-CG 4.27Å; L267-L290 HydrophobicContact CG-CD2 4.39Å; L267-L293 HydrophobicContact CD1-CD1 3.59Å
268L84.4Confident80.4Confident0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-65.1-40.3174.8-74.9172.9000112.6I219 L223 Y246 V264 F265 S270 V271 V272I219-L268 HydrophobicContact CB-CD1 4.46Å; I219-L268 HydrophobicContact CG1-CD1 3.97Å; I219-L268 HydrophobicContact CG2-CD1 4.41Å; L223-L268 HydrophobicContact CD2-CD2 4.46Å; Y246-L268 HydrophobicContact CD1-CB 4.23Å; Y246-L268 HydrophobicContact CE1-CB 3.99Å; Y246-L268 HydrophobicContact CE1-CD1 4.49Å; V264-L268 HydrophobicContact CG1-CD1 3.93Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.47Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.48Å; V264-L268 PolarHBondContact O-N 2.91Å; F265-L268 PolarHBondContact O-N 3.2Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.31Å; L268-V271 PolarHBondContact O-N 2.99Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.08Å
269Q83.9Confident81.8Confident39 Ų3952.6 Ų52.618%0.18227%0.265CS..Hα-helixtrans-57.6-46.3172.1-74.4-174.1-3700110.8Y246 F265 L266 V271 V272 M273Y246-Q269 HydrophobicContact CD1-CG 3.66Å; Y246-Q269 HydrophobicContact CE1-CG 4.5Å; Y246-Q269 HydrophobicContact CG-CG 4.47Å; F265-Q269 HydrophobicContact CE1-CG 4.14Å; F265-Q269 HydrophobicContact CZ-CG 4.18Å; F265-Q269 WeakPolarHBondContact O-CG 3.28Å; F265-Q269 PolarHBondContact O-N 3.05Å; L266-Q269 PolarHBondContact O-N 3.33Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 3.49Å; Q269-V272 PolarHBondContact O-N 3.5Å; Q269-M273 VanDerWaalsContact O-CG 3.31Å; Q269-M273 WeakPolarHBondContact O-CG 3.46Å; Q269-M273 PolarHBondContact O-N 2.97Å
270S85.3Confident82.6Confident40 Ų4053.4 Ų53.428%0.2827%0.273SS..Hα-helixtrans-62.2-35.5177.873.70000113L266 L267 L268 M273 A274 L286L266-S270 PolarHBondContact O-N 3.09Å; L267-S270 WeakPolarHBondContact CA-OG 3.34Å; L267-S270 PolarHBondContact O-N 3.36Å; L267-S270 PolarHBondContact O-OG 3.38Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.31Å; S270-M273 PolarHBondContact O-N 3.47Å; S270-A274 VanDerWaalsContact O-CB 3.29Å; S270-A274 WeakPolarHBondContact O-CB 3.31Å; S270-A274 PolarHBondContact O-N 3.33Å; S270-L286 WeakPolarHBondContact OG-CD1 3.33Å; S270-L286 VanDerWaalsContact OG-CD2 3.23Å; S270-L286 WeakPolarHBondContact OG-CD2 3.42Å
271V84.5Confident83.2Confident1 Ų160 Ų601%0.00630%0.303CS..Hα-helixtrans-65.5-45.4174.1169.70000111.4L267 L268 Q269 M273 A274 C275 L283 L286 L290 L302L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 2.86Å; L268-V271 PolarHBondContact O-N 2.99Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 3.49Å; V271-M273 VanDerWaalsContact C-N 3.34Å; V271-M273 PolarHBondContact O-N 3.36Å; V271-A274 PolarHBondContact O-N 3.46Å; V271-C275 WeakPolarHBondContact O-CB 3.19Å; V271-C275 PolarHBondContact O-N 2.9Å; V271-C275 PolarHBondContact O-SG 3.46Å; V271-L283 HydrophobicContact CG1-CD2 4.06Å; V271-L286 HydrophobicContact CG2-CB 4.3Å; V271-L286 HydrophobicContact CG2-CD1 4Å; V271-L290 HydrophobicContact CG2-CD1 3.43Å; V271-L290 VanDerWaalsContact CG2-CD1 3.43Å; V271-L302 HydrophobicContact CG1-CD1 4.38Å
272V85.2Confident83.5Confident0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-60.8-45.5177.5172.70000110.3V222 M226 L268 Q269 C275 Q276V222-V272 HydrophobicContact CG1-CG2 3.65Å; M226-V272 HydrophobicContact CG-CG2 4.21Å; M226-V272 HydrophobicContact SD-CB 4.25Å; M226-V272 HydrophobicContact SD-CG1 4.05Å; M226-V272 HydrophobicContact SD-CG2 3.97Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.08Å; Q269-V272 PolarHBondContact O-N 3.5Å; V272-C275 PolarHBondContact O-N 3.42Å; V272-Q276 WeakPolarHBondContact O-CG 3.3Å; V272-Q276 PolarHBondContact O-N 3.44Å
273M83.1Confident83.8Confident37 Ų3752.6 Ų52.618%0.18227%0.267CS..Hα-helixtrans-61.5-49176.9-68.3-59.6-61.100111.9W248 Q269 S270 V271 C275 Q276 E277W248-M273 HydrophobicContact CB-CE 3.99Å; W248-M273 HydrophobicContact CB-SD 3.96Å; W248-M273 HydrophobicContact CG-CE 3.91Å; W248-M273 HydrophobicContact CG-SD 4.46Å; Q269-M273 VanDerWaalsContact O-CG 3.31Å; Q269-M273 WeakPolarHBondContact O-CG 3.46Å; Q269-M273 PolarHBondContact O-N 2.97Å; S270-M273 PolarHBondContact O-N 3.47Å; V271-M273 VanDerWaalsContact C-N 3.34Å; V271-M273 PolarHBondContact O-N 3.36Å; M273-C275 PolarHBondContact O-N 2.97Å; M273-Q276 PolarHBondContact O-N 3.2Å; M273-Q276 VanDerWaalsContact O-N 3.11Å; M273-E277 WeakPolarHBondContact O-CG 3.43Å; M273-E277 PolarHBondContact O-N 3.36Å
274A84.9Confident83.9Confident7 Ų752.2 Ų52.26%0.05826%0.26CS..Hα-helixtrans-62.3-32.9178.900000112.2S270 V271 K278 D279 L283 L286S270-A274 VanDerWaalsContact O-CB 3.29Å; S270-A274 WeakPolarHBondContact O-CB 3.31Å; S270-A274 PolarHBondContact O-N 3.33Å; V271-A274 PolarHBondContact O-N 3.46Å; A274-K278 PolarHBondContact O-N 3.05Å; A274-D279 PolarHBondContact O-N 3.39Å; A274-L283 HydrophobicContact CB-CD2 3.8Å; A274-L283 HydrophobicContact CB-CG 3.77Å; A274-L286 HydrophobicContact CB-CD1 4.5Å
275C82.9Confident84.2Confident1 Ų154.9 Ų54.91%0.00728%0.279CS..Hα-helixtrans-69.8-41.6173.3-68.90000112.7M226 V271 V272 M273 K278M226-C275 HydrophobicContact CE-CB 3.19Å; M226-C275 HydrophobicContact SD-CB 4.15Å; V271-C275 WeakPolarHBondContact O-CB 3.19Å; V271-C275 PolarHBondContact O-N 2.9Å; V271-C275 PolarHBondContact O-SG 3.46Å; V272-C275 PolarHBondContact O-N 3.42Å; M273-C275 PolarHBondContact O-N 2.97Å; C275-K278 PolarHBondContact O-N 3.48Å
276Q82.1Confident84.3Confident98 Ų9854.6 Ų54.646%0.45828%0.278SS..Hα-helixtrans-65.3-40.7177.4-72.2175.94.300112.1V272 M273 K278V272-Q276 WeakPolarHBondContact O-CG 3.3Å; V272-Q276 PolarHBondContact O-N 3.44Å; M273-Q276 PolarHBondContact O-N 3.2Å; M273-Q276 VanDerWaalsContact O-N 3.11Å; Q276-K278 VanDerWaalsContact C-N 3.26Å; Q276-K278 PolarHBondContact O-N 3.17Å
277E83.1Confident84.5Confident136 Ų13651.6 Ų51.664%0.63626%0.262SS*.Hα-helixtrans-79.9-7.3178.1-65.8-177.4177.600113.2M273 D279M273-E277 WeakPolarHBondContact O-CG 3.43Å; M273-E277 PolarHBondContact O-N 3.36Å; E277-D279 PolarHBondContact O-N 3.42Å
278K80.4Confident84.7Confident162 Ų16254.2 Ų54.270%0.70428%0.281SS*.THydrogen-bonded Turntrans58.332-175.2-56.2179179179.20113.3A274 C275 Q276 T280A274-K278 PolarHBondContact O-N 3.05Å; C275-K278 PolarHBondContact O-N 3.48Å; Q276-K278 VanDerWaalsContact C-N 3.26Å; Q276-K278 PolarHBondContact O-N 3.17Å; K278-T280 PolarHBondContact O-N 3.42Å
279D86Confident84.9Confident52 Ų5259.5 Ų59.528%0.27831%0.305SS..  trans-8397.7177.9-174.4-0.8000111.4A274 E277 E281 S282 L283A274-D279 PolarHBondContact O-N 3.39Å; E277-D279 PolarHBondContact O-N 3.42Å; D279-E281 VanDerWaalsContact C-N 3.32Å; D279-E281 PolarHBondContact O-N 3.37Å; D279-E281 PolarHBondContact OD1-N 2.85Å; D279-S282 PolarHBondContact OD1-N 2.99Å; D279-S282 WeakPolarHBondContact OD2-CB 3.48Å; D279-S282 PolarHBondContact OD2-OG 2.94Å; D279-L283 WeakPolarHBondContact O-CG 3.33Å; D279-L283 PolarHBondContact O-N 3.49Å
280T83.4Confident85Confident50 Ų5057.7 Ų57.731%0.30730%0.297SS..Hα-helixtrans-73-20.3179.365.60000114.1K278 K284K278-T280 PolarHBondContact O-N 3.42Å; T280-K284 VanDerWaalsContact O-CG 3.3Å; T280-K284 WeakPolarHBondContact O-CG 3.19Å; T280-K284 PolarHBondContact O-N 2.97Å
281E84.6Confident85.2Confident154 Ų15462.6 Ų62.672%0.7231%0.309SS*.Hα-helixtrans-78.2-46.4-179.9-65.9-169.8168.400110.1D279 L283 K284 S285D279-E281 VanDerWaalsContact C-N 3.32Å; D279-E281 PolarHBondContact O-N 3.37Å; D279-E281 PolarHBondContact OD1-N 2.85Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.39Å; E281-K284 PolarHBondContact O-N 3.13Å; E281-K284 VanDerWaalsContact O-N 3.16Å; E281-S285 PolarHBondContact O-N 2.86Å; E281-S285 VanDerWaalsContact O-N 3.12Å
282S85.3Confident85.4Confident46 Ų4667.4 Ų67.432%0.32234%0.341SS..Hα-helixtrans-61.6-39.5174.7-67.10000112.3D279 K284 S285 L286D279-S282 PolarHBondContact OD1-N 2.99Å; D279-S282 WeakPolarHBondContact OD2-CB 3.48Å; D279-S282 PolarHBondContact OD2-OG 2.94Å; S282-K284 VanDerWaalsContact C-N 3.3Å; S282-K284 PolarHBondContact O-N 2.97Å; S282-S285 WeakPolarHBondContact CA-OG 3.3Å; S282-S285 PolarHBondContact O-N 3.18Å; S282-S285 PolarHBondContact O-OG 2.94Å; S282-L286 WeakPolarHBondContact O-CB 3.25Å; S282-L286 WeakPolarHBondContact O-CD1 3.19Å; S282-L286 WeakPolarHBondContact O-CG 3.35Å; S282-L286 PolarHBondContact O-N 3.42Å
283L84Confident85.4Confident4 Ų471.3 Ų71.32%0.02136%0.361CS..Hα-helixtrans-62-36.8175.3-76.3173.3000112.9V271 A274 D279 E281 L286 Q287 V306 R309V271-L283 HydrophobicContact CG1-CD2 4.06Å; A274-L283 HydrophobicContact CB-CD2 3.8Å; A274-L283 HydrophobicContact CB-CG 3.77Å; D279-L283 WeakPolarHBondContact O-CG 3.33Å; D279-L283 PolarHBondContact O-N 3.49Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.39Å; L283-L286 PolarHBondContact O-N 2.81Å; L283-Q287 PolarHBondContact O-N 3.18Å; L283-V306 HydrophobicContact CB-CG2 4.49Å; L283-R309 HydrophobicContact CD1-CB 4.31Å; L283-R309 HydrophobicContact CD1-CG 4.06Å
284K84.8Confident85.6Confident105 Ų10570.2 Ų70.246%0.45736%0.356SS..Hα-helixtrans-70.5-35.7177.5-74.9171.1-176.41710112.5T280 E281 S282 P288T280-K284 VanDerWaalsContact O-CG 3.3Å; T280-K284 WeakPolarHBondContact O-CG 3.19Å; T280-K284 PolarHBondContact O-N 2.97Å; E281-K284 PolarHBondContact O-N 3.13Å; E281-K284 VanDerWaalsContact O-N 3.16Å; S282-K284 VanDerWaalsContact C-N 3.3Å; S282-K284 PolarHBondContact O-N 2.97Å; K284-P288 WeakPolarHBondContact O-CD 3.26Å
285S87.9Confident85.7Confident63 Ų6372.2 Ų72.244%0.44137%0.369SS..Hα-helixtrans-72.7-31.4175.256.50000112.6E281 S282 P288E281-S285 PolarHBondContact O-N 2.86Å; E281-S285 VanDerWaalsContact O-N 3.12Å; S282-S285 WeakPolarHBondContact CA-OG 3.3Å; S282-S285 PolarHBondContact O-N 3.18Å; S282-S285 PolarHBondContact O-OG 2.94Å; S285-P288 VanDerWaalsContact O-CD 3.24Å; S285-P288 WeakPolarHBondContact O-CD 3.44Å; S285-P288 VanDerWaalsContact O-CG 3.26Å; S285-P288 WeakPolarHBondContact O-CG 3.39Å
286L86.9Confident85.9Confident19 Ų1976.3 Ų76.310%0.09940%0.403CS..Hα-helixtrans-74.2-29.8178.8-70.5169.6000113.3L267 S270 V271 A274 S282 L283 E289 L290L267-L286 HydrophobicContact CD2-CD2 3.94Å; S270-L286 WeakPolarHBondContact OG-CD1 3.33Å; S270-L286 VanDerWaalsContact OG-CD2 3.23Å; S270-L286 WeakPolarHBondContact OG-CD2 3.42Å; V271-L286 HydrophobicContact CG2-CB 4.3Å; V271-L286 HydrophobicContact CG2-CD1 4Å; A274-L286 HydrophobicContact CB-CD1 4.5Å; S282-L286 WeakPolarHBondContact O-CB 3.25Å; S282-L286 WeakPolarHBondContact O-CD1 3.19Å; S282-L286 WeakPolarHBondContact O-CG 3.35Å; S282-L286 PolarHBondContact O-N 3.42Å; L283-L286 PolarHBondContact O-N 2.81Å; L286-E289 PolarHBondContact O-N 3.39Å; L286-L290 PolarHBondContact O-N 3.09Å
287Q87.3Confident86Confident40 Ų4075.3 Ų75.319%0.18740%0.399CS..Hα-helixtrans-55.4-50.5179.8-168-177.56.700114.7L283 E289 L290 W291 L302L283-Q287 PolarHBondContact O-N 3.18Å; Q287-E289 VanDerWaalsContact C-N 3.3Å; Q287-E289 PolarHBondContact O-N 2.96Å; Q287-L290 PolarHBondContact O-N 3.29Å; Q287-W291 PolarHBondContact O-N 3.38Å; Q287-L302 HydrophobicContact CG-CD2 4.18Å
288P89.2Confident86.2Confident85 Ų8569.2 Ų69.255%0.55237%0.37SS*.Hα-helixtrans-67.3-29.117826.8-36.3000113.4K284 S285 P292K284-P288 WeakPolarHBondContact O-CD 3.26Å; S285-P288 VanDerWaalsContact O-CD 3.24Å; S285-P288 WeakPolarHBondContact O-CD 3.44Å; S285-P288 VanDerWaalsContact O-CG 3.26Å; S285-P288 WeakPolarHBondContact O-CG 3.39Å; P288-P292 WeakPolarHBondContact O-CD 3.3Å
289E87.9Confident86.7Confident111 Ų11161.9 Ų61.952%0.51934%0.339SS..Hα-helixtrans-72.6-36.6178.2-65.1-175.6-174.600112L286 Q287 P292L286-E289 PolarHBondContact O-N 3.39Å; Q287-E289 VanDerWaalsContact C-N 3.3Å; Q287-E289 PolarHBondContact O-N 2.96Å; E289-P292 WeakPolarHBondContact O-CD 3.42Å
290L87.1Confident86.8Confident0 Ų063.3 Ų63.30%034%0.343CS..Hα-helixtrans-79.1-25.6176.5-81.8167.4000113.6L267 V271 L286 Q287 L293 L294 L302L267-L290 HydrophobicContact CB-CD1 4.45Å; L267-L290 HydrophobicContact CB-CD2 3.57Å; L267-L290 HydrophobicContact CB-CG 4.02Å; L267-L290 HydrophobicContact CD1-CD2 3.94Å; L267-L290 HydrophobicContact CD1-CG 4.27Å; L267-L290 HydrophobicContact CG-CD2 4.39Å; V271-L290 HydrophobicContact CG2-CD1 3.43Å; V271-L290 VanDerWaalsContact CG2-CD1 3.43Å; L286-L290 PolarHBondContact O-N 3.09Å; Q287-L290 PolarHBondContact O-N 3.29Å; L290-L293 PolarHBondContact O-N 3.29Å; L290-L294 HydrophobicContact CB-CD1 3.93Å; L290-L294 HydrophobicContact CB-CG 4.35Å; L290-L294 HydrophobicContact CD2-CD1 4.37Å; L290-L294 HydrophobicContact CD2-CG 4.42Å; L290-L294 WeakPolarHBondContact O-CG 3.06Å; L290-L294 PolarHBondContact O-N 3.45Å; L290-L302 HydrophobicContact CB-CD2 3.92Å; L290-L302 HydrophobicContact CD1-CD2 4.03Å
291W87.8Confident87Confident144 Ų14461 Ų6155%0.54533%0.329SS..THydrogen-bonded Turntrans-49.4-48.9-175.7-168.3-87.7000115.6Q287 L293 N299Q287-W291 PolarHBondContact O-N 3.38Å; W291-L293 VanDerWaalsContact C-N 3.26Å; W291-L293 PolarHBondContact O-N 3.16Å; W291-N299 HydrophobicContact CE3-CB 4.02Å; W291-N299 HydrophobicContact CH2-CB 4.19Å; W291-N299 HydrophobicContact CZ3-CB 3.84Å; W291-N299 PolarHBondContact O-ND2 2.9Å
292P89.6Confident87.1Confident102 Ų10253.8 Ų53.866%0.66230%0.295SS*.THydrogen-bonded Turntrans-74.4-15.6-179.830.4-35.9000113.7P288 E289P288-P292 WeakPolarHBondContact O-CD 3.3Å; E289-P292 WeakPolarHBondContact O-CD 3.42Å
293L85.3Confident87.3Confident81 Ų8155.7 Ų55.742%0.42430%0.299SS..THydrogen-bonded Turntrans-92.6-19.5-175.9-62.8172.8000112.7V264 L267 L290 W291V264-L293 HydrophobicContact CG2-CB 4.15Å; V264-L293 HydrophobicContact CG2-CD1 4.19Å; V264-L293 HydrophobicContact CG2-CD2 4.46Å; L267-L293 HydrophobicContact CD1-CD1 3.59Å; L290-L293 PolarHBondContact O-N 3.29Å; W291-L293 VanDerWaalsContact C-N 3.26Å; W291-L293 PolarHBondContact O-N 3.16Å
294L86.8Confident87.4Confident15 Ų1556.9 Ų56.98%0.07931%0.305CS..SBendtrans-103.9154.1-174.8-64.9-176.9000112.4I219 L290 Q298 N299 L302I219-L294 HydrophobicContact CG2-CD2 3.57Å; L290-L294 HydrophobicContact CB-CD1 3.93Å; L290-L294 HydrophobicContact CB-CG 4.35Å; L290-L294 HydrophobicContact CD2-CD1 4.37Å; L290-L294 HydrophobicContact CD2-CG 4.42Å; L290-L294 WeakPolarHBondContact O-CG 3.06Å; L290-L294 PolarHBondContact O-N 3.45Å; L294-Q298 HydrophobicContact CB-CB 3.89Å; L294-Q298 HydrophobicContact CD1-CB 4.35Å; L294-Q298 HydrophobicContact CD2-CB 4.24Å; L294-Q298 HydrophobicContact CG-CB 4.39Å; L294-N299 WeakPolarHBondContact CB-OD1 3.47Å; L294-N299 PolarHBondContact O-ND2 2.59Å; L294-L302 HydrophobicContact CD1-CD2 3.96Å
295S86.8Confident87.4Confident48 Ų4851.9 Ų51.934%0.33628%0.284SS..  trans-69.5162.3170.477.70000111.4E297 Q298 N299S295-E297 PolarHBondContact O-N 2.93Å; S295-Q298 PolarHBondContact O-N 3.07Å; S295-Q298 VanDerWaalsContact O-N 3.15Å; S295-Q298 WeakPolarHBondContact OG-CG 3.46Å; S295-Q298 PolarHBondContact OG-N 3.39Å; S295-N299 WeakPolarHBondContact O-CB 3.35Å; S295-N299 PolarHBondContact O-N 3.34Å; S295-N299 PolarHBondContact O-ND2 3.37Å
296A86.9Confident87.3Confident87 Ų8749.2 Ų49.272%0.71927%0.265SS*.Hα-helixtrans-56-34.8176.900000112.8H300A296-H300 PolarHBondContact O-N 3.06Å
297E85.2Confident87.3Confident78 Ų7853 Ų5336%0.36428%0.282SS..Hα-helixtrans-71.5-43.3177.9-63.3172.5177.600111.9T171 S295 N299 H300 L301T171-E297 WeakPolarHBondContact CB-OE1 3.44Å; T171-E297 VanDerWaalsContact CG2-CD 3.43Å; T171-E297 WeakPolarHBondContact CG2-OE1 3.35Å; T171-E297 WeakPolarHBondContact CG2-OE2 3.32Å; S295-E297 PolarHBondContact O-N 2.93Å; E297-N299 VanDerWaalsContact C-N 3.32Å; E297-H300 WeakPolarHBondContact O-CB 3.45Å; E297-H300 PolarHBondContact O-N 3.4Å; E297-L301 PolarHBondContact O-N 3.03Å
298Q87.6Confident87Confident7 Ų754.5 Ų54.53%0.03329%0.289CS..Hα-helixtrans-65.5-38.4175.3-70.7166.5-1400111.1K216 I219 L223 L294 S295 H300 L301 L302K216-Q298 PolarHBondContact O-NE2 3.32Å; I219-Q298 HydrophobicContact CG2-CB 4.5Å; I219-Q298 HydrophobicContact CG2-CG 3.99Å; L223-Q298 HydrophobicContact CD1-CB 4.02Å; L223-Q298 HydrophobicContact CD1-CG 4.45Å; L223-Q298 WeakPolarHBondContact CD1-O 3.33Å; L294-Q298 HydrophobicContact CB-CB 3.89Å; L294-Q298 HydrophobicContact CD1-CB 4.35Å; L294-Q298 HydrophobicContact CD2-CB 4.24Å; L294-Q298 HydrophobicContact CG-CB 4.39Å; S295-Q298 PolarHBondContact O-N 3.07Å; S295-Q298 VanDerWaalsContact O-N 3.15Å; S295-Q298 WeakPolarHBondContact OG-CG 3.46Å; S295-Q298 PolarHBondContact OG-N 3.39Å; Q298-H300 VanDerWaalsContact C-N 3.31Å; Q298-H300 PolarHBondContact O-N 3.07Å; Q298-L301 PolarHBondContact O-N 2.97Å; Q298-L302 WeakPolarHBondContact O-CB 3.42Å; Q298-L302 PolarHBondContact O-N 2.76Å
299N89.3Confident86.5Confident9 Ų952.9 Ų52.95%0.04827%0.272CS..Hα-helixtrans-63.3-37.4172.5-79.9-33.4000112.1W291 L294 S295 E297 H303W291-N299 HydrophobicContact CE3-CB 4.02Å; W291-N299 HydrophobicContact CH2-CB 4.19Å; W291-N299 HydrophobicContact CZ3-CB 3.84Å; W291-N299 PolarHBondContact O-ND2 2.9Å; L294-N299 WeakPolarHBondContact CB-OD1 3.47Å; L294-N299 PolarHBondContact O-ND2 2.59Å; S295-N299 WeakPolarHBondContact O-CB 3.35Å; S295-N299 PolarHBondContact O-N 3.34Å; S295-N299 PolarHBondContact O-ND2 3.37Å; E297-N299 VanDerWaalsContact C-N 3.32Å; N299-H303 WeakPolarHBondContact O-CB 3.44Å; N299-H303 PolarHBondContact O-N 2.94Å
300H89.7Confident85.9Confident82 Ų8251.4 Ų51.438%0.3827%0.266SS..Hα-helixtrans-63.2-46.2173-177.256.5000111.6A296 E297 Q298 H303 L304A296-H300 PolarHBondContact O-N 3.06Å; E297-H300 WeakPolarHBondContact O-CB 3.45Å; E297-H300 PolarHBondContact O-N 3.4Å; Q298-H300 VanDerWaalsContact C-N 3.31Å; Q298-H300 PolarHBondContact O-N 3.07Å; H300-H303 WeakPolarHBondContact O-CB 3.48Å; H300-H303 PolarHBondContact O-N 3.21Å; H300-L304 WeakPolarHBondContact O-CG 3.43Å; H300-L304 PolarHBondContact O-N 2.89Å
301L87.1Confident85.1Confident0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-60.7-47.4175.5-69.6175.3000111.9I174 Y179 L223 L224 E297 Q298 H303 L304 V305I174-L301 HydrophobicContact CD1-CD1 4.06Å; I174-L301 HydrophobicContact CG1-CD2 4.45Å; I174-L301 HydrophobicContact CG2-CD2 3.83Å; I174-L301 HydrophobicContact CG2-CG 4.35Å; Y179-L301 HydrophobicContact CE1-CD2 4.38Å; L223-L301 HydrophobicContact CB-CB 4.07Å; L223-L301 HydrophobicContact CB-CD1 4.39Å; L223-L301 HydrophobicContact CD1-CB 4.19Å; L224-L301 HydrophobicContact CD2-CD1 4.28Å; L224-L301 HydrophobicContact CD2-CD2 3.66Å; L224-L301 HydrophobicContact CG-CD1 4.05Å; L224-L301 HydrophobicContact CG-CD2 4.31Å; E297-L301 PolarHBondContact O-N 3.03Å; Q298-L301 PolarHBondContact O-N 2.97Å; L301-H303 VanDerWaalsContact C-N 3.28Å; L301-H303 PolarHBondContact O-N 3.32Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.2Å; L301-L304 VanDerWaalsContact O-N 3.09Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.21Å
302L87.4Confident84.1Confident3 Ų353 Ų532%0.01629%0.294CS..Hα-helixtrans-58.8-41.4177.6-178.963.7000111.5L223 V271 Q287 L290 L294 Q298 L304 V305 V306L223-L302 HydrophobicContact CD2-CB 4.27Å; L223-L302 HydrophobicContact CD2-CD1 3.95Å; V271-L302 HydrophobicContact CG1-CD1 4.38Å; Q287-L302 HydrophobicContact CG-CD2 4.18Å; L290-L302 HydrophobicContact CB-CD2 3.92Å; L290-L302 HydrophobicContact CD1-CD2 4.03Å; L294-L302 HydrophobicContact CD1-CD2 3.96Å; Q298-L302 WeakPolarHBondContact O-CB 3.42Å; Q298-L302 PolarHBondContact O-N 2.76Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.37Å; L302-V305 PolarHBondContact O-N 3.35Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.3Å
303H88.3Confident82.6Confident87 Ų8752 Ų5240%0.40329%0.29SS..Hα-helixtrans-61.6-42.3175.3-178.357.9000112.3N299 H300 L301 V306 Q307N299-H303 WeakPolarHBondContact O-CB 3.44Å; N299-H303 PolarHBondContact O-N 2.94Å; H300-H303 WeakPolarHBondContact O-CB 3.48Å; H300-H303 PolarHBondContact O-N 3.21Å; L301-H303 VanDerWaalsContact C-N 3.28Å; L301-H303 PolarHBondContact O-N 3.32Å; H303-V306 PolarHBondContact O-N 3.36Å; H303-Q307 WeakPolarHBondContact O-CB 3.29Å; H303-Q307 PolarHBondContact O-N 3Å
304L86.3Confident81Confident28 Ų2851.9 Ų51.915%0.14731%0.307CS..Hα-helixtrans-62.6-43.2175.2-68.8170.5000111.6Y179 L227 H300 L301 L302 V306 Q307 E308Y179-L304 HydrophobicContact CE1-CD1 4.26Å; Y179-L304 VanDerWaalsContact OH-CD1 3.32Å; Y179-L304 WeakPolarHBondContact OH-CD1 3.39Å; L227-L304 HydrophobicContact CD1-CB 3.94Å; H300-L304 WeakPolarHBondContact O-CG 3.43Å; H300-L304 PolarHBondContact O-N 2.89Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.2Å; L301-L304 VanDerWaalsContact O-N 3.09Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.37Å; L304-V306 PolarHBondContact O-N 2.85Å; L304-Q307 PolarHBondContact O-N 3.25Å; L304-E308 WeakPolarHBondContact O-CG 3.47Å; L304-E308 PolarHBondContact O-N 3.1Å
305V85.9Confident78.6Confident1 Ų160 Ų601%0.00635%0.345CS..Hα-helixtrans-57.7-49.8175.1-179.80000110.5L223 M226 L227 L301 L302 Q307 E308 R309L223-V305 WeakPolarHBondContact O-CG2 3.28Å; M226-V305 HydrophobicContact CB-CG1 4.22Å; M226-V305 HydrophobicContact CB-CG2 4.46Å; L227-V305 HydrophobicContact CB-CG2 3.98Å; L227-V305 HydrophobicContact CD1-CG2 4.18Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 3.21Å; L302-V305 PolarHBondContact O-N 3.35Å; V305-Q307 VanDerWaalsContact C-N 3.3Å; V305-Q307 PolarHBondContact O-N 3.27Å; V305-E308 PolarHBondContact O-N 3.45Å; V305-R309 VanDerWaalsContact O-CG 3.27Å; V305-R309 WeakPolarHBondContact O-CG 3.27Å; V305-R309 PolarHBondContact O-N 3.36Å; V305-R309 VanDerWaalsContact O-N 3.12Å
306V85.4Confident76.1Confident7 Ų760.7 Ų60.74%0.04236%0.36CS..Hα-helixtrans-60-42.1178.3173.30000111L283 L302 H303 L304 R309 I310L283-V306 HydrophobicContact CB-CG2 4.49Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 3.3Å; H303-V306 PolarHBondContact O-N 3.36Å; L304-V306 PolarHBondContact O-N 2.85Å; V306-R309 PolarHBondContact O-N 2.98Å; V306-I310 HydrophobicContact CG1-CD1 3.55Å; V306-I310 HydrophobicContact CG1-CG1 4.43Å; V306-I310 WeakPolarHBondContact O-CD1 3.41Å; V306-I310 VanDerWaalsContact O-CG1 3.24Å; V306-I310 WeakPolarHBondContact O-CG1 3.44Å; V306-I310 PolarHBondContact O-N 3.15Å; V306-I310 VanDerWaalsContact O-N 3.08Å
307Q85.8Confident73.4Confident99 Ų9968.3 Ų68.346%0.46339%0.386SS..Hα-helixtrans-63.8-45.7179.7-174.7177.4-1.800112.5H303 L304 V305 R309 I310 T311H303-Q307 WeakPolarHBondContact O-CB 3.29Å; H303-Q307 PolarHBondContact O-N 3Å; L304-Q307 PolarHBondContact O-N 3.25Å; V305-Q307 VanDerWaalsContact C-N 3.3Å; V305-Q307 PolarHBondContact O-N 3.27Å; Q307-R309 VanDerWaalsContact C-N 3.29Å; Q307-R309 PolarHBondContact O-N 3.43Å; Q307-I310 PolarHBondContact O-N 3.34Å; Q307-T311 PolarHBondContact O-N 3Å; Q307-T311 PolarHBondContact O-OG1 2.99Å
308E82.4Confident72.8Confident71 Ų7167.8 Ų67.833%0.33239%0.387SS..Hα-helixtrans-66.1-31178.9-68.7-148.5134.300112.5L227 L304 V305 T311 P312 S313L227-E308 HydrophobicContact CD1-CG 3.93Å; L227-E308 VanDerWaalsContact CD1-OE2 3.24Å; L227-E308 WeakPolarHBondContact CD1-OE2 3.35Å; L304-E308 WeakPolarHBondContact O-CG 3.47Å; L304-E308 PolarHBondContact O-N 3.1Å; V305-E308 PolarHBondContact O-N 3.45Å; E308-T311 CarbonylContact O-C 3.58Å; E308-P312 WeakPolarHBondContact O-CA 3.26Å; E308-S313 PolarHBondContact OE1-OG 3.28Å
309R78.1Confident72.1Confident51 Ų5171 Ų7119%0.19241%0.406CS..Hα-helixtrans-74.6-34.7175.9-63.6-60178.5176.24.6113.3M226 E229 L283 V305 V306 Q307M226-R309 PolarHBondContact O-NH2 2.68Å; E229-R309 IonicContact OE1-CZ 3.12Å; E229-R309 IonicContact OE1-NH1 2.77Å; E229-R309 PolarHBondContact OE1-NH1 3.09Å; E229-R309 IonicContact OE1-NH2 2.63Å; E229-R309 PolarHBondContact OE1-NH2 3.09Å; E229-R309 IonicContact OE2-CZ 3.82Å; E229-R309 IonicContact OE2-NH1 3.09Å; E229-R309 PolarHBondContact OE2-NH1 3.38Å; E229-R309 VanDerWaalsContact OE2-NH1 3.09Å; E229-R309 IonicContact OE2-NH2 3.79Å; L283-R309 HydrophobicContact CD1-CB 4.31Å; L283-R309 HydrophobicContact CD1-CG 4.06Å; V305-R309 VanDerWaalsContact O-CG 3.27Å; V305-R309 WeakPolarHBondContact O-CG 3.27Å; V305-R309 PolarHBondContact O-N 3.36Å; V305-R309 VanDerWaalsContact O-N 3.12Å; V306-R309 PolarHBondContact O-N 2.98Å; Q307-R309 VanDerWaalsContact C-N 3.29Å; Q307-R309 PolarHBondContact O-N 3.43Å
310I75.6Confident71.1Confident79 Ų7974.4 Ų74.441%0.40543%0.425SS..Hα-helixtrans-76.7-38.6177-64.7165000110.7V306 Q307V306-I310 HydrophobicContact CG1-CD1 3.55Å; V306-I310 HydrophobicContact CG1-CG1 4.43Å; V306-I310 WeakPolarHBondContact O-CD1 3.41Å; V306-I310 VanDerWaalsContact O-CG1 3.24Å; V306-I310 WeakPolarHBondContact O-CG1 3.44Å; V306-I310 PolarHBondContact O-N 3.15Å; V306-I310 VanDerWaalsContact O-N 3.08Å; Q307-I310 PolarHBondContact O-N 3.34Å
311T69.6Low70Confident88 Ų8874 Ų7454%0.5443%0.428SS..SBendtrans-136.490-176.2-1.20000107.8Q307 E308 S313Q307-T311 PolarHBondContact O-N 3Å; Q307-T311 PolarHBondContact O-OG1 2.99Å; E308-T311 CarbonylContact O-C 3.58Å; T311-S313 PolarHBondContact O-N 3.1Å; T311-S313 VanDerWaalsContact O-N 3.1Å
312P67.7Low68.9Low90 Ų9078.6 Ų78.658%0.58446%0.455SS*.  trans-63119.7-179.623.6-31.8000109.2E308 G314 Q315E308-P312 WeakPolarHBondContact O-CA 3.26Å; P312-G314 PolarHBondContact O-N 3.41Å; P312-Q315 PolarHBondContact O-N 3.33Å
313S57.5Low67.7Low82 Ų8283.7 Ų83.757%0.57348%0.484SS*.THydrogen-bonded Turntrans-55-5.1-179.7-41.10000114.1E308 T311 Q315E308-S313 PolarHBondContact OE1-OG 3.28Å; T311-S313 PolarHBondContact O-N 3.1Å; T311-S313 VanDerWaalsContact O-N 3.1Å; S313-Q315 VanDerWaalsContact C-N 3.28Å; S313-Q315 PolarHBondContact O-N 3.13Å
314G52Low66.2Low77 Ų7783.4 Ų83.479%0.79449%0.49SS*.THydrogen-bonded Turntrans-76.42.4172.200000115.8P312P312-G314 PolarHBondContact O-N 3.41Å
315Q36.9Very low64.7Low185 Ų18587.7 Ų87.786%0.86452%0.516SS*.SBendtrans-100.974.5161.1-72.6-169-9.800110.6P312 S313P312-Q315 PolarHBondContact O-N 3.33Å; S313-Q315 VanDerWaalsContact C-N 3.28Å; S313-Q315 PolarHBondContact O-N 3.13Å
316G34.2Very low62.9Low63 Ų6394.9 Ų94.965%0.64956%0.559SS**  trans42.8106.5152.700000119.8
317I30.1Very low60.9Low247 Ų247102.9 Ų102.9100%1.26761%0.606SS**  -131.90119.3-58.8-178.3000107.6

Retrieved 317 of 317 residues in 66 ms (Link to these results)

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